Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Edetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.82 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.78 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.78 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.78 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.78 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.78 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.78 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.78 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | EYA2 | O00167 | 1/20 | 0.82 |
| ▸ | APP | P05067 | 1/20 | 0.82 |
| ▸ | BLM | P54132 | 2/20 | 0.78 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.78 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | LMNA | P02545 | 1/20 | 0.78 |
| ▸ | DRD1 | P21728 | 1/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.78 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.78 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Edetic Acid SCHEMBL2327395 | 1.00 | TDP1 (0.82) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL5571235 | 1.00 | TDP1 (0.82) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL121502 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL8679211 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL15541077 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL23455628 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL20743376 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL21332394 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL21436997 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM | |
| Edetic Acid SCHEMBL531146 | 0.97 | TDP1 (0.88) | TDP1EYA2APPACEBLM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8252779-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2012-08-28 | — | — | US | claimed |
| US-7767662-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-08-03 | — | — | US | claimed |
| US-7767663-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-08-03 | — | — | US | claimed |
| US-7691840-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2010-04-06 | — | — | US | claimed |
| US-7608613-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2009-10-27 | — | — | US | claimed |
| US-20090209549-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-08-20 | — | — | US | claimed |
| US-20090208590-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-08-20 | — | — | US | claimed |
| EP-3178472-B1 | ORAL FORMULATIONS OF METHYLNALTREXONE | WYETH LLC (US) | 2021-10-27 | — | — | EP | disclosed |
| US-20200121673-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | WYETH, LLC (US) | 2020-04-23 | — | — | US | disclosed |
| US-20190314365-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | WYETH, LLC (US) | 2019-10-17 | — | — | US | disclosed |
| US-10376505-B2 | Oral formulations and lipophilic salts of methylnaltrexone | WYETH, LLC (US) | 2019-08-13 | — | — | US | disclosed |
| US-20190231771-A1 | METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE | SALIX PHARMACEUTICALS, LTD. (US) | 2019-08-01 | — | — | US | disclosed |
| US-10307417-B2 | Oral formulations and lipophilic salts of methylnaltrexone | WYETH, LLC (US) | 2019-06-04 | — | — | US | disclosed |
| CN-104254332-A | Methods for treating and preventing opioid induced constipation using methylnaltrexone oral compositions | SALIX PHARMACEUTICALS LTD | 2014-12-31 | — | — | CN | disclosed |
| EP-2793888-A1 | METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE | Salix Pharmaceuticals, Ltd. (US) | 2014-10-29 | — | — | EP | disclosed |
| US-20140249171-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | WYETH, LLC (US) | 2014-09-04 | — | — | US | disclosed |
| US-20130330407-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | WYETH, LLC (US) | 2013-12-12 | — | — | US | disclosed |
| US-20130317050-A1 | METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE | MEDICIS PHARMACEUTICAL CORPORATION | 2013-11-28 | — | — | US | disclosed |
| US-8524276-B2 | Oral formulations and lipophilic salts of methylnaltrexone | WYETH, LLC (US) | 2013-09-03 | — | — | US | disclosed |
| WO-2013096444-A1 | METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE | SALIX PHARMACEUTICALS, LTD. (US) | 2013-06-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190231771-A1 | METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE | OPRK1, OPRM1, OPRL1 | ACE 2542/4885CHRM2 63/4885ADRA2A 81/4885 |
| US-10376505-B2 | Oral formulations and lipophilic salts of methylnaltrexone | OPRL1, OPRM1, OPRK1 | ACE 2055/4885CHRM2 268/4885ADRA2A 110/4885 |
| US-20200121673-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | OPRL1, OPRM1, OPRK1 | ACE 2055/4885CHRM2 268/4885ADRA2A 110/4885 |
| US-20140249171-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | OPRL1, OPRM1, OPRK1 | ACE 2055/4885CHRM2 268/4885ADRA2A 110/4885 |
| US-20190314365-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | OPRL1, OPRM1, OPRK1 | ACE 2055/4885CHRM2 268/4885ADRA2A 110/4885 |
| US-20130317050-A1 | METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE | OPRK1, OPRM1, OPRL1 | ACE 2542/4885CHRM2 63/4885ADRA2A 81/4885 |
| US-10307417-B2 | Oral formulations and lipophilic salts of methylnaltrexone | OPRL1, OPRM1, OPRK1 | ACE 2055/4885CHRM2 268/4885ADRA2A 110/4885 |
| US-20130330407-A1 | ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE | OPRL1, OPRM1, OPRK1 | ACE 2055/4885CHRM2 268/4885ADRA2A 110/4885 |
| US-20090208590-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | ACE 2877/4885CHRM2 4812/4885ADRA2A 2920/4885 |
| US-20090209549-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | HSP90B1, CDC37, NPM1 | ACE 2877/4885CHRM2 4812/4885ADRA2A 2920/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.