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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 6/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302311 | 0.85 | CYP11B2 (0.44) | CYP11B2CYP11B1DRD3ALDH1A1KDM4E | |
| SCHEMBL9301930 | 0.85 | HTT (0.45) | CYP11B2CYP11B1DRD3ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9302957 | 0.84 | CYP11B1 (0.43) | CYP11B2CYP11B1DRD3ALDH1A1KDM4E | |
| SCHEMBL9302144 | 0.78 | GRM5 (0.39) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL9301733 | 0.76 | CYP11B2 (0.40) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL9847719 | 0.75 | DRD3 (0.47) | DRD3ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL9847732 | 0.75 | HTT (0.43) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL9301581 | 0.73 | HTT (0.50) | CYP11B2CYP11B1ALDH1A1KDM4ELMNA | |
| SCHEMBL9303256 | 0.72 | GAA (0.45) | DRD3ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL9302130 | 0.72 | HTT (0.47) | DRD3ALDH1A1KDM4ELMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |