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 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | FABP7 | O15540 | 3/20 | 0.46 |
| ▸ | FABP3 | P05413 | 3/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29373398 | 0.95 | ALDH1A1 (0.58) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL447135 | 0.95 | ALDH1A1 (0.58) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL27634502 | 0.94 | ALDH1A1 (0.57) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL27615461 | 0.94 | ALDH1A1 (0.57) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL7749745 | 0.88 | MEN1 (0.61) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL11370297 | 0.87 | ALDH1A1 (0.59) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL7086844 | 0.86 | MEN1 (0.56) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL11817815 | 0.86 | L3MBTL1 (0.49) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL28694778 | 0.86 | L3MBTL1 (0.49) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL31453778 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HSD17B10PGRGAAPTGS1 |
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-0975768-A2 | PHENOLIC ACID ESTERASE AND USE THEREOF | THE BABRAHAM INSTITUTE (GB) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046768-A2 | PHENOLIC ACID ESTERASE AND USE THEREOF | THE BABRAHAM INSTITUTE (GB) | 1998-10-22 | — | — | WO | disclosed |