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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16124244 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL11354590 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL30252278 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL9508203 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL7278345 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL2231148 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| Acetic Acid SCHEMBL29696676 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TDP1EPHX2RAB9APOLB | |
| Acetic Acid SCHEMBL27511307 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL837175 | 0.82 | — | — | |
| SCHEMBL7093157 | 0.80 | ALDH1A1 (0.70) | ALDH1A1TDP1CYP3A4ALOX15USP2 |
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-0207454-B1 | ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS | STERLING WINTHROP INC. (US) | 1992-09-09 | — | — | EP | disclosed |
| US-4861791-A | Dihydro-oxazolyl substituted-phenyl-aliphatic lower alkyl and their use as antiviral agents | STERLING DRUG INC. (US) | 1989-08-29 | — | — | US | disclosed |
| EP-0207454-A2 | Isoxazole and furan derivatives, their preparation and use as antiviral agents | STERLING WINTHROP INC. (US) | 1987-01-07 | — | — | EP | disclosed |