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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.63 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.63 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL15573538 | 0.96 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL10617506 | 0.96 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Water SCHEMBL28507570 | 0.96 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL25384985 | 0.92 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL22558063 | 0.92 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL521959 | 0.92 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E |
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 271 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116348530-A | Method for producing polysiloxane, composition containing polysiloxane, and molded body | 三菱瓦斯化学株式会社 | 2023-06-27 | — | — | CN | claimed |
| WO-2022065331-A1 | PRODUCTION METHOD FOR POLYSILOXANE, COMPOSITION INCLUDING POLYSILOXANE, AND MOLDED BODY | 三菱瓦斯化学株式会社 | 2022-03-31 | — | — | WO | claimed |
| US-20220081385-A1 | NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID | LUPIN LIMITED (IN) | 2022-03-17 | — | — | US | claimed |
| EP-3906231-A2 | NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID | Lupin Limited (IN) | 2021-11-10 | — | — | EP | claimed |
| CN-113227061-A | Novel salts and polymorphs of bipedac acid | 印度鲁宾有限公司 | 2021-08-06 | — | — | CN | claimed |
| CN-111533736-A | Azainaphthalene derivatives, synthesis method thereof and electronic device thereof | 苏州久显新材料有限公司 | 2020-08-14 | — | — | CN | claimed |
| WO-2020141419-A2 | NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID | LUPIN LIMITED (IN) | 2020-07-09 | — | — | WO | claimed |
| CN-110506100-A | Composite and application method after chemical mechanical grinding | ENTEGRIS INC | 2019-11-26 | — | — | CN | claimed |
| CN-106928283-B | Carbazole and the double modifications of phosphine oxygen are coordinated phenylbenzimidazol complex of iridium, preparation method and applications | 黑龙江大学 | 2019-05-07 | — | — | CN | claimed |
| US-10253165-B2 | Control of organic impurities in polycarbonate synthesis | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2019-04-09 | — | — | US | claimed |
| EP-0922050-B1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2003-07-30 | — | — | EP | claimed |
| US-6274715-B1 | SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY | ABBOTT LABORATORIES | 2001-08-14 | — | — | US | claimed |
| CN-1244202-A | Tricyclic erythromycin derivatives | ABBOTT LAB (US) | 2000-02-09 | — | — | CN | claimed |
| EP-0961776-A1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | Abbott Laboratories (US) | 1999-12-08 | — | — | EP | claimed |
| EP-0922050-A1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1999-06-16 | — | — | EP | claimed |
| EP-0876388-A1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | Abbott Laboratories (US) | 1998-11-11 | — | — | EP | claimed |
| WO-1998030574-A1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1998-07-16 | — | — | WO | claimed |
| US-5750510-A | ANTIBIOTICS | ABBOTT LABORATORIES (US) | 1998-05-12 | — | — | US | claimed |
| WO-1997042205-A1 | 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-11-13 | — | — | WO | claimed |
| WO-1997017356-A1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-05-15 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20220081385-A1 | NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID | HADH, ALDH5A1, ACAD9 | ESR1 4533/4885ESR2 4820/4885ACHE 3821/4885 |
“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.