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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL780030 | 0.89 | CA1 (0.56) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL8821206 | 0.89 | CA1 (0.56) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL27750191 | 0.89 | CXCR2 (0.48) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL27319143 | 0.88 | CXCR2 (0.53) | CXCR2CXCR1CA1CA2CA9 | |
| Methane SCHEMBL27573607 | 0.87 | CA1 (0.54) | CXCR2CXCR1CA1CA2CA9 | |
| Iodide SCHEMBL3347577 | 0.87 | CA1 (0.54) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL27804335 | 0.87 | CA1 (0.54) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL1128833 | 0.87 | CA1 (0.54) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL28807949 | 0.87 | CA1 (0.54) | CXCR2CXCR1CA1CA2CA9 | |
| SCHEMBL6923665 | 0.87 | CA1 (0.54) | CXCR2CXCR1CA1CA2CA9 |
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-1202893-A | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DU PONT MERCK PHARMA (US) | 1998-12-23 | — | — | CN | disclosed |