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 | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HTR5A | P47898 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5193435 | 0.89 | ALOX15 (0.57) | HSD17B3ALOX15HSD17B10HTR5AALDH1A1 | |
| Acetic Acid SCHEMBL7917029 | 0.78 | TDP2 (0.36) | HSD17B3ALDH1A1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1828551 | 0.77 | — | — | |
| SCHEMBL2041999 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL7208186 | 0.74 | — | — | |
| Alcohol SCHEMBL7759130 | 0.74 | ALOX15 (0.57) | HSD17B3ALOX15HSD17B10HTR5AALDH1A1 | |
| Indoline SCHEMBL17652456 | 0.73 | DRD2 (0.44) | HSD17B3ALOX15HSD17B10ALDH1A1BRD4 | |
| SCHEMBL2060556 | 0.73 | ALOX15 (0.47) | ALOX15HSD17B10HTR5AALDH1A1BRD4 | |
| Oxindole SCHEMBL26640330 | 0.71 | AHR (0.78) | ALDH1A1BRD4CREBBPAHRPDK2 | |
| SCHEMBL10766095 | 0.71 | HSD17B3 (0.58) | HSD17B3ALOX15HSD17B10ALDH1A1BRD4 |
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-0964928-A1 | ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE | SMITHKLINE BEECHAM PLC (GB) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998029561-A1 | ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE | SMITHKLINE BEECHAM PLC (GB) | 1998-07-09 | — | — | WO | disclosed |