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 | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NQO2 | P16083 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
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 SCHEMBL9528744 | 0.92 | MTNR1A (0.53) | HTR2AALDH1A1MAPTL3MBTL1HTR1A | |
| Acetic Acid SCHEMBL9527415 | 0.86 | MTNR1A (0.51) | HTR2AMAPTHTR1ARAB9AKMT2A | |
| Acetic Acid SCHEMBL10491450 | 0.83 | HTR1A (0.57) | HTR2AALDH1A1MAPTL3MBTL1HTR1A | |
| Acetic Acid SCHEMBL9531897 | 0.81 | HTR2A (0.45) | HTR2AALDH1A1MAPTRAB9AKMT2A | |
| Acetic Acid SCHEMBL9529853 | 0.80 | ACHE (0.52) | HTR2AALDH1A1MAPTL3MBTL1HTR1A | |
| SCHEMBL11536860 | 0.79 | HTR2A (0.68) | HTR2AALDH1A1MAPTL3MBTL1HTR1A | |
| SCHEMBL9532459 | 0.78 | HTR2A (0.53) | HTR2AALDH1A1MAPTL3MBTL1HTR1A | |
| SCHEMBL1376615 | 0.78 | HTR2A (0.81) | HTR2AMAPTHTR1ACYP2D6CYP1A2 | |
| SCHEMBL13576556 | 0.75 | NQO2 (0.65) | HTR2AALDH1A1MAPTL3MBTL1HTR1A | |
| Acetic Acid SCHEMBL10491394 | 0.75 | MTNR1A (0.51) | HTR2AALDH1A1MAPTL3MBTL1HTR1A |
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-0287468-B1 | 17-AZA-20,21-DINOREBURNAMENINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-03-10 | — | — | EP | disclosed |
| EP-0287468-A2 | 17-Aza-20,21-dinoreburnamenine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1988-10-19 | — | — | EP | disclosed |