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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.36 |
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 SCHEMBL15023270 | 0.97 | TSHR (0.46) | TSHRNAPRTDAOCES2CES1 | |
| Water SCHEMBL27893186 | 0.83 | ALDH1A1 (0.38) | TSHRNAPRTDAOHSD17B10MAPT | |
| Water SCHEMBL27278574 | 0.83 | ALDH1A1 (0.38) | TSHRNAPRTDAOHSD17B10MAPT | |
| SCHEMBL10696439 | 0.81 | ALDH1A1 (0.41) | TSHRNAPRTDAOCES2CES1 | |
| SCHEMBL28783143 | 0.81 | ALDH1A1 (0.41) | TSHRNAPRTDAOCES2CES1 | |
| Water SCHEMBL28074124 | 0.80 | ALDH1A1 (0.35) | TSHRNAPRTDAOHSD17B10MAPT | |
| SCHEMBL20441 | 0.80 | ALDH1A1 (0.40) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL28637225 | 0.79 | TSHR (0.74) | TSHRNAPRTDAOCES2CES1 | |
| SCHEMBL29097667 | 0.77 | TSHR (0.37) | TSHRNAPRTDAOALDH1A1GLA | |
| SCHEMBL28453310 | 0.76 | ALDH1A1 (0.38) | TSHRNAPRTDAOHSD17B10MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107787183-B | Fertilizer and agrochemical formulations | 三井化学AGRO株式会社 | 2021-10-08 | — | — | CN | disclosed |