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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | MMP14 | P50281 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL9004321 | 0.90 | CYP3A4 (0.58) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Methacrylic Acid SCHEMBL18091198 | 0.89 | TSHR (0.53) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL80432 | 0.87 | CYP3A4 (0.67) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Thioglycolic Acid SCHEMBL31622349 | 0.87 | CYP3A4 (0.53) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Adipic Acid SCHEMBL9700310 | 0.87 | TSHR (0.62) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL28421632 | 0.85 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Acrylic Acid SCHEMBL2306705 | 0.85 | TSHR (0.66) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Carbamic Acid SCHEMBL9090354 | 0.85 | CYP3A4 (0.53) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| Alcohol SCHEMBL2450700 | 0.85 | ALDH1A1 (0.60) | CYP3A4TSHRTDP1ATML3MBTL1 | |
| SCHEMBL23087841 | 0.85 | CYP3A4 (0.64) | CYP3A4TSHRTDP1ATML3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0853116-B1 | Detergent composition for removing resinous stains | KAO CORP (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-5954891-A | ANTISOILANTS OF NONIONIC DETERGENTS ADHERED USING THE DETERGENT COMPOSITION AS DEFINED IN CLAIM 1 OR 2; | KAO CORPORATION (JP) | 1999-09-21 | — | — | US | disclosed |
| EP-0853116-A1 | Detergent composition for removing resinous stains | KAO CORPORATION (JP) | 1998-07-15 | — | — | EP | disclosed |