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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.56 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 6/20 | 0.84 |
| ▸ | TTR | P02766 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CASP1 | P29466 | 2/20 | 0.56 |
| ▸ | CASP7 | P55210 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2299504 | 0.92 | MAOA (1.00) | MAOATTRNPC1RAB9AALDH1A1 | |
| SCHEMBL29715739 | 0.92 | MAOA (1.00) | MAOATTRNPC1RAB9AALDH1A1 | |
| Xanthone SCHEMBL18138444 | 0.87 | MAOA (0.75) | MAOATTRNPC1RAB9AALDH1A1 | |
| SCHEMBL1983479 | 0.83 | MAOA (0.81) | MAOAALDH1A1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL30468736 | 0.83 | MAOA (0.81) | MAOAALDH1A1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL30599042 | 0.82 | MAOA (1.00) | MAOATTRNPC1RAB9AALDH1A1 | |
| SCHEMBL1675981 | 0.82 | MAOA (1.00) | MAOATTRNPC1RAB9AALDH1A1 | |
| Xanthone SCHEMBL29025600 | 0.82 | MAOA (1.00) | MAOATTRNPC1RAB9AALDH1A1 | |
| SCHEMBL8868189 | 0.81 | MAOA (0.73) | MAOATTRNPC1RAB9AALDH1A1 | |
| SCHEMBL31153220 | 0.81 | MAOA (0.79) | MAOAALDH1A1KDM4EHSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5495005-A | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | NATIONAL SCIENCE COUNCIL (TW) | 1996-02-27 | — | — | US | disclosed |