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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7058131 | 0.95 | NPC1 (0.54) | NPC1RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL27718180 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL3014350 | 0.81 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL27406485 | 0.80 | RAB9A (0.59) | NPC1RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL9544102 | 0.80 | TAAR1 (0.53) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1279543 | 0.78 | TSHR (0.60) | KDM4ECYP2D6 | |
| SCHEMBL6341212 | 0.76 | KDM4E (0.57) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL20564087 | 0.76 | KMT2A (0.55) | NPC1RAB9AALDH1A1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL8303604 | 0.76 | HPGD (0.49) | NPC1RAB9AALDH1A1KDM4EMEN1 | |
| SCHEMBL19910422 | 0.76 | KMT2A (0.52) | RAB9AALDH1A1KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1076690-A | SULFONAMIDOCARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 1993-09-29 | — | — | CN | disclosed |