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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 3/20 | 0.32 |
| ▸ | CES1 | P23141 | 3/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.31 |
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 SCHEMBL11224897 | 0.91 | KCNH2 (0.37) | KCNH2MEN1KMT2ABCHETDP1 | |
| Acetic Acid SCHEMBL5580294 | 0.91 | KCNH2 (0.37) | KCNH2MEN1KMT2ABCHETDP1 | |
| Phosphoric Acid SCHEMBL28505543 | 0.88 | S1PR1 (0.35) | — | |
| SCHEMBL10431497 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA | |
| SCHEMBL107098 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA | |
| SCHEMBL2949529 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA | |
| SCHEMBL11250645 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA | |
| SCHEMBL750715 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA | |
| SCHEMBL21049558 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA | |
| SCHEMBL9814327 | 0.87 | GNAI3 (0.37) | MEN1KMT2ACYP1A2CYP2C19GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0573253-B1 | Topical anti-bacterial composition | UNILEVER PLC (GB) | 2001-08-22 | — | — | EP | disclosed |
| EP-0573253-A2 | Topical anti-bacterial composition | UNILEVER PLC (GB) | 1993-12-08 | — | — | EP | disclosed |