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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 4/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL5516950 | 0.90 | ALDH1A1 (0.52) | TDP1SLC6A4SLC6A3ALDH1A1L3MBTL1 | |
| SCHEMBL7844565 | 0.83 | SLC6A4 (0.52) | TDP1SLC6A4SLC6A3ALDH1A1L3MBTL1 | |
| SCHEMBL17066980 | 0.80 | TDP1 (0.41) | TDP1SLC6A4SLC6A3ALDH1A1L3MBTL1 | |
| SCHEMBL791815 | 0.79 | NPC1 (0.40) | TDP1SLC6A4SLC6A3ALDH1A1L3MBTL1 | |
| SCHEMBL676668 | 0.77 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1ABL1KMT2APTGS2 | |
| SCHEMBL9656922 | 0.77 | DPP4 (0.42) | TDP1ALDH1A1L3MBTL1GLO1PTGS2 | |
| SCHEMBL28410856 | 0.76 | ALDH1A1 (0.52) | TDP1ALDH1A1L3MBTL1ABL1MKNK1 | |
| SCHEMBL9963987 | 0.74 | LMNA (0.41) | ALDH1A1L3MBTL1MKNK1MKNK2MEN1 | |
| SCHEMBL28404602 | 0.74 | NUDT1 (0.51) | ALDH1A1L3MBTL1ABL1KMO | |
| SCHEMBL5517057 | 0.74 | SLC6A3 (0.59) | TDP1SLC6A4SLC6A3ALDH1A1L3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109837317-B | Synthesis method of chiral bisaryl alcohol compound | 中国科学院天津工业生物技术研究所 | 2022-11-22 | — | — | CN | disclosed |
| CN-111100851-B | Alcohol dehydrogenase mutant and application thereof in synthesis of chiral diaryl alcohol compound | 中国科学院天津工业生物技术研究所 | 2022-07-26 | — | — | CN | disclosed |
| CN-112852770-B | Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction | 中国科学院天津工业生物技术研究所 | 2022-01-07 | — | — | CN | disclosed |
| CN-112852770-A | Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction | 中国科学院天津工业生物技术研究所 | 2021-05-28 | — | — | CN | disclosed |
| CN-111100851-A | Alcohol dehydrogenase mutant and application thereof in synthesis of chiral diaryl alcohol compound | 中国科学院天津工业生物技术研究所 | 2020-05-05 | — | — | CN | disclosed |
| CN-109837317-A | A kind of synthetic method of chirality double aromatic yl alcohol compound | 中国科学院天津工业生物技术研究所 | 2019-06-04 | — | — | CN | disclosed |