Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 11/20 | 0.67 |
| ▸ | ESR2 known ✓ | Q92731 | 5/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15216417 | 0.82 | ESR1 (0.73) | ESR1ESR2CYP19A1PTGS2 | |
| Phenol SCHEMBL10796314 | 0.79 | ESR1 (0.96) | ESR1ESR2CYP19A1PTGS2PGR | |
| Phenol SCHEMBL10796309 | 0.79 | ESR1 (0.96) | ESR1ESR2CYP19A1PTGS2PGR | |
| Phenol SCHEMBL7723405 | 0.79 | ESR1 (0.96) | ESR1ESR2CYP19A1PTGS2PGR | |
| SCHEMBL3453545 | 0.78 | ESR1 (0.54) | ESR1ESR2CYP19A1PTGS2PGR | |
| SCHEMBL641477 | 0.78 | ESR1 (0.80) | ESR1ESR2CYP19A1PTGS2PGR | |
| SCHEMBL7238542 | 0.77 | ESR1 (0.68) | ESR1ESR2CYP19A1PTGS2PGR | |
| SCHEMBL7238545 | 0.77 | ESR1 (0.68) | ESR1ESR2CYP19A1PTGS2PGR | |
| SCHEMBL18284527 | 0.77 | CYP19A1 (0.81) | ESR1ESR2CYP19A1PGR | |
| SCHEMBL23851086 | 0.77 | ESR1 (1.00) | ESR1ESR2CYP19A1PTGS2PGR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362237-B1 | MIXTURE | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-03-26 | — | — | US | disclosed |
| EP-0799042-A1 | COMPOUNDS WITH PROGESTERONE-ANTAGONISTIC AND ANTI-OESTROGEN PROPERTIES INTENDED FOR COMBINED USE IN FEMALE CONTRACEPTION | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019997-A1 | COMPOUNDS WITH PROGESTERONE-ANTAGONISTIC AND ANTI-OESTROGEN PROPERTIES INTENDED FOR COMBINED USE IN FEMALE CONTRACEPTION | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-07-04 | — | — | WO | disclosed |