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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 8/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
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 SCHEMBL9529853 | 0.88 | ACHE (0.52) | ACHEMTNR1AMTNR1BLMNAMEN1 | |
| Acetic Acid SCHEMBL9529592 | 0.84 | ACHE (0.47) | ACHELMNASMN1; SMN2HTR1B | |
| Acetic Acid SCHEMBL10491429 | 0.83 | MTNR1A (0.49) | MTNR1AMTNR1BLMNAMEN1TP53 | |
| Acetic Acid SCHEMBL9530053 | 0.82 | ACHE (0.49) | ACHEMTNR1AMTNR1BLMNAMEN1 | |
| Acetic Acid SCHEMBL10491368 | 0.81 | MTNR1A (0.43) | MTNR1AMTNR1BLMNAMEN1TP53 | |
| Acetic Acid SCHEMBL9527415 | 0.79 | MTNR1A (0.51) | MTNR1AMTNR1BLMNAMEN1TP53 | |
| SCHEMBL9529052 | 0.77 | LMNA (0.44) | LMNAMEN1TP53MAPTKMT2A | |
| SCHEMBL10491425 | 0.74 | HTR1A (0.45) | MTNR1AMTNR1BLMNAMEN1TP53 | |
| SCHEMBL10491366 | 0.74 | KMT2A (0.43) | LMNAMEN1TP53MAPTKMT2A | |
| SCHEMBL3579326 | 0.73 | RAB9A (0.70) | MTNR1AMTNR1BLMNAMEN1TP53 |
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 |