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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 4/20 | 0.36 |
| ▸ | BID | P55957 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.36 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.36 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4551111 | 0.93 | CXCR5 (0.34) | CXCR5PPARABIDMCL1PPARG | |
| SCHEMBL7934680 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL28054371 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL289726 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL28054351 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL1878428 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL27995364 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL498621 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL3262722 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 | |
| SCHEMBL287633 | 0.92 | KCNH2 (0.37) | CXCR5CYP1A1KCNH2 |
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-20090306314-A1 | METHOD FOR PRODUCING OLEFIN POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |