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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL278738 | 0.80 | BBOX1 (0.33) | BBOX1 | |
| Acetic Acid SCHEMBL6314424 | 0.78 | CYP3A4 (0.33) | BBOX1 | |
| SCHEMBL7580357 | 0.78 | BBOX1 (0.33) | BBOX1 | |
| SCHEMBL609004 | 0.76 | BBOX1 (0.31) | BBOX1 | |
| SCHEMBL13726526 | 0.71 | — | — | |
| SCHEMBL437160 | 0.70 | CYP2C19 (0.41) | — | |
| SCHEMBL4560419 | 0.68 | BBOX1 (0.31) | BBOX1 | |
| Acetic Acid SCHEMBL5682314 | 0.65 | POLB (0.44) | BBOX1 | |
| Acetic Acid SCHEMBL27260986 | 0.64 | GRIK1 (0.39) | — | |
| Propionic Acid SCHEMBL10458035 | 0.64 | BBOX1 (0.37) | BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005021914-A | HARDENING FLUX | SUMITOMO BAKELITE CO LTD | 2005-01-27 | — | — | JP | disclosed |