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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 SCHEMBL1228077 | 0.95 | PTGS2 (0.43) | ALOX5PTGS2CA2CA12CA1 | |
| Acetic Acid SCHEMBL1229034 | 0.91 | PTGS2 (0.43) | ALOX5PTGS2CA2CA1TNFRSF1A | |
| Acetic Acid SCHEMBL1229068 | 0.85 | PTPN1 (0.43) | CA2CA12CA9PTPN2PTPN1 | |
| Acetic Acid SCHEMBL1229360 | 0.85 | CA12 (0.41) | CA2CA12CA9CA1MEN1 | |
| Acetic Acid SCHEMBL1227749 | 0.85 | ALOX5 (0.44) | ALOX5PTGS2CA2CA12CA9 | |
| Acetic Acid SCHEMBL1230000 | 0.85 | ALOX5 (0.44) | ALOX5PTGS2CA2CA12CA9 | |
| Acetic Acid SCHEMBL1228068 | 0.84 | CA12 (0.40) | CA2CA12CA9MEN1KMT2A | |
| Acetic Acid SCHEMBL1228280 | 0.82 | SMN1; SMN2 (0.42) | ALOX5PTGS2CA2CA12CA9 | |
| Acetic Acid SCHEMBL1229403 | 0.82 | ALOX5 (0.48) | ALOX5PTGS2CA2CA12CA9 | |
| Acetic Acid SCHEMBL1229268 | 0.82 | ALOX5 (0.42) | ALOX5PTGS2CA2CA1TNFRSF1A |
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-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |