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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 SCHEMBL9532462 | 0.92 | HTR2A (0.56) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| Acetic Acid SCHEMBL9531897 | 0.87 | HTR2A (0.45) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| Acetic Acid SCHEMBL10491394 | 0.83 | MTNR1A (0.51) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| Acetic Acid SCHEMBL9527415 | 0.80 | MTNR1A (0.51) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| Acetic Acid SCHEMBL9530053 | 0.80 | ACHE (0.49) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| SCHEMBL11534542 | 0.79 | RAB9A (0.66) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| SCHEMBL9528741 | 0.78 | MTNR1A (0.48) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| Acetic Acid SCHEMBL10491450 | 0.75 | HTR1A (0.57) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| SCHEMBL10491391 | 0.75 | MAPT (0.47) | MTNR1AMTNR1BHTR2AMEN1KMT2A | |
| SCHEMBL10874098 | 0.74 | MTNR1A (0.53) | MTNR1AMTNR1BHTR2AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |