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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30859504 | 0.95 | SMN1; SMN2 (0.39) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL15678397 | 0.83 | MEN1 (0.41) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL14510661 | 0.78 | SMN1; SMN2 (0.46) | CYP2C9SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL9210994 | 0.72 | ALDH1A1 (0.37) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL3815788 | 0.72 | TDP1 (0.37) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL15678402 | 0.72 | TDP1 (0.41) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL13091100 | 0.71 | TP53 (0.40) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL5765049 | 0.71 | NPC1 (0.46) | SMN1; SMN2ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL13091115 | 0.70 | SMN1; SMN2 (0.40) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL1954071 | 0.70 | CYP2C9 (0.41) | CYP2C9SMN1; SMN2ALDH1A1HTTMEN1 |
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-118119389-A | Prodrugs and derivatives of des-phosphate nupharicin and uses thereof | 人类生物科学股份有限公司 | 2024-05-31 | — | — | CN | disclosed |