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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.64 |
| ▸ | CA4 | P22748 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6014755 | 0.93 | CA1 (0.57) | CA1CA4CA2CYP3A4TSHR | |
| Sodium Isobutyrate SCHEMBL904378 | 0.93 | — | — | |
| Acetic Acid SCHEMBL4894498 | 0.90 | CA1 (0.50) | CA1CA4CA2CYP3A4TSHR | |
| Acetic Acid SCHEMBL11579192 | 0.90 | CA1 (0.53) | CA1CA4CA2CYP3A4TSHR | |
| Acetic Acid SCHEMBL887065 | 0.90 | CA1 (0.53) | CA1CA4CA2CYP3A4TSHR | |
| Water SCHEMBL29781157 | 0.89 | — | — | |
| Potassium Ion SCHEMBL11423204 | 0.86 | CA4 (0.47) | CA1CA4CA2CYP3A4TSHR | |
| SCHEMBL25268289 | 0.85 | CA1 (0.43) | CA1CA4CA2CYP3A4TSHR | |
| SCHEMBL3532262 | 0.85 | CA1 (0.43) | CA1CA4CA2CYP3A4TSHR | |
| SCHEMBL9181254 | 0.85 | CA1 (0.43) | CA1CA4CA2CYP3A4TSHR |
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-20080299281-A1 | Emulsifiers and Emulsions | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2008-12-04 | — | — | US | disclosed |
| EP-1850953-A1 | EMULSIFIERS AND EMULSIONS | Imperial Chemical Industries Plc. (GB) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006090110-A1 | EMULSIFIERS AND EMULSIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2006-08-31 | — | — | WO | disclosed |