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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | GPR174 | Q9BXC1 | 2/20 | 0.39 |
| ▸ | MET | P08581 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301590 | 0.88 | MAPT (0.45) | MAPTALDH1A1LMNARORCPIK3CD | |
| SCHEMBL9847732 | 0.81 | HTT (0.43) | MAPTALDH1A1LMNARORCSMN1; SMN2 | |
| SCHEMBL9301681 | 0.79 | HTT (0.42) | MAPTLMNARORCSMN1; SMN2OPRM1 | |
| SCHEMBL9301682 | 0.78 | RORC (0.42) | MAPTLMNARORCSMN1; SMN2OPRM1 | |
| SCHEMBL9301581 | 0.78 | HTT (0.50) | MAPTALDH1A1LMNARORCGPR174 | |
| SCHEMBL9303809 | 0.77 | HTT (0.41) | MAPTALDH1A1LMNARORCSMN1; SMN2 | |
| SCHEMBL9302252 | 0.76 | ACHE (0.42) | LMNARORCOPRM1OPRD1OGFRL1 | |
| SCHEMBL9302442 | 0.76 | RORC (0.41) | MAPTLMNARORCSMN1; SMN2OPRM1 | |
| SCHEMBL9301471 | 0.76 | RORC (0.41) | MAPTLMNARORCSMN1; SMN2OPRM1 | |
| SCHEMBL9301575 | 0.74 | RORC (0.39) | MAPTLMNARORCSMN1; SMN2OPRM1 |
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 |