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 | |
|---|---|---|---|---|
| ▸ | SCNN1A | P37088 | 8/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.56 |
| ▸ | GLA | P06280 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | PLAU | P00749 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | FTO | Q9C0B1 | 3/20 | 0.56 |
| ▸ | BLM | P54132 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.56 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL31325583 | 0.92 | SCNN1A (0.63) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL805324 | 0.92 | SCNN1A (0.63) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL11496167 | 0.90 | ALDH1A1 (0.65) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL27779034 | 0.85 | SCNN1A (0.53) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2492971 | 0.82 | SCNN1A (0.56) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL14237878 | 0.81 | PLAU (0.50) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1134621 | 0.79 | SCNN1A (0.58) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL31647638 | 0.79 | SCNN1A (0.58) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL25950177 | 0.78 | PLAU (0.44) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1136790 | 0.78 | SCNN1A (0.56) | SCNN1AALDH1A1KDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687851-B | Organic compounds | NOVARTIS AG | 2013-02-27 | — | — | CN | disclosed |
| CN-101687851-A | organic compounds | NOVARTIS AG | 2010-03-31 | — | — | CN | disclosed |