Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3327763 | 0.98 | TSHR (0.38) | TSHRACHETRPA1ATMGAA | |
| SCHEMBL752673 | 0.98 | TSHR (0.41) | TSHRACHETRPA1ATMGAA | |
| Hydrochloric Acid SCHEMBL154108 | 0.95 | TSHR (0.39) | TSHRACHETRPA1ATMGAA | |
| Hydrochloric Acid SCHEMBL31150435 | 0.95 | TSHR (0.39) | TSHRACHETRPA1ATMGAA | |
| Water SCHEMBL28584406 | 0.91 | TSHR (0.39) | TSHRACHETRPA1ATMGAA | |
| SCHEMBL753567 | 0.88 | TSHR (0.41) | TSHRACHETRPA1ATMGAA | |
| Hydrochloric Acid SCHEMBL4373437 | 0.86 | TSHR (0.39) | TSHRACHETRPA1ATMGAA | |
| Formic Acid SCHEMBL5197972 | 0.86 | ALDH1A1 (0.36) | TSHRACHETRPA1ATMGAA | |
| Acetic Acid SCHEMBL5196852 | 0.86 | GAA (0.40) | TRPA1GAAALDH1A1PKMSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL2110043 | 0.86 | GAA (0.36) | TSHRACHETRPA1ATMGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070197785-A1 | METHOD FOR INHIBITING POLYMERIZATION OF (METH) ACRYLIC ACID AND ITS ESTERS USING AN INHIBITOR AND A PROCESS FOR MAKING A COMPOUND USEFUL AS SUCH AN INHIBITOR | BASS STEPHEN | 2007-08-23 | — | — | US | disclosed |
| US-7253279-B1 | Method for inhibiting polymerization of (METH) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor | ROHM AND HAAS COMPANY (US) | 2007-08-07 | — | — | US | disclosed |
| US-7220879-B2 | Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor | ROHM AND HAAS COMPANY (US) | 2007-05-22 | — | — | US | disclosed |
| EP-1647543-B1 | A method for inhibiting polymerization of (Meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor | ROHM & HAAS (US) | 2007-05-02 | — | — | EP | disclosed |
| EP-1647543-A1 | A method for inhibiting polymerization of (Meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor | Rohm and Haas Company (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20060074257-A1 | Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor | BASS STEPHEN | 2006-04-06 | — | — | US | 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 (2 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-20070197785-A1 | METHOD FOR INHIBITING POLYMERIZATION OF (METH) ACRYLIC ACID AND ITS ESTERS USING AN INHIBITOR AND A PROCESS FOR MAKING A COMPOUND USEFUL AS SUCH AN INHIBITOR | MMAB, AZI2, MEP1A | ACHE 1933/4885MEN1 2242/4885TSHR 4161/4885 |
| US-20060074257-A1 | Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor | MMAB, AZI2, MEP1A | ACHE 1933/4885MEN1 2242/4885TSHR 4161/4885 |
“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.