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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 SCHEMBL9530053 | 0.88 | ACHE (0.49) | ACHELMNAGPR84RAB9AHTR2A | |
| Acetic Acid SCHEMBL9529115 | 0.84 | ACHE (0.46) | ACHELMNASMN1; SMN2HTR1B | |
| Acetic Acid SCHEMBL9529853 | 0.83 | ACHE (0.52) | ACHELMNARAB9ASMN1; SMN2HTR2A | |
| Acetic Acid SCHEMBL10491393 | 0.83 | HTR2A (0.44) | LMNARAB9ASMN1; SMN2HTR2AHTR1B | |
| Acetic Acid SCHEMBL10491411 | 0.80 | HPGD (0.40) | ACHELMNARAB9ASMN1; SMN2HTR2A | |
| Acetic Acid SCHEMBL9531897 | 0.79 | HTR2A (0.45) | LMNARAB9ASMN1; SMN2HTR2AHPGD | |
| SCHEMBL9529587 | 0.78 | PDE4D (0.40) | ACHELMNARAB9ASMN1; SMN2HTR2A | |
| SCHEMBL10491389 | 0.75 | HTR2A (0.41) | ACHERAB9ASMN1; SMN2HTR2AHTR1B | |
| SCHEMBL10491405 | 0.74 | KMT2A (0.46) | ACHESMN1; SMN2HPGD | |
| SCHEMBL11543826 | 0.73 | RAB9A (0.70) | LMNARAB9ASMN1; SMN2HTR2AHTR1B |
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 |