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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL1229048 | 0.95 | CA12 (0.39) | CA12CA2CA9CA1PTPN1 | |
| Acetic Acid SCHEMBL1229553 | 0.90 | MAPT (0.35) | CA12CA2CA9CA1PTPN1 | |
| Acetic Acid SCHEMBL1229068 | 0.88 | PTPN1 (0.43) | CA12CA2CA9PTPN1PTPN2 | |
| Acetic Acid SCHEMBL1228068 | 0.87 | CA12 (0.40) | CA12CA2CA9PTPN1PTPN2 | |
| Acetic Acid SCHEMBL1229385 | 0.85 | ALOX5 (0.42) | CA12CA2CA9CA1PTPN1 | |
| Acetic Acid SCHEMBL1229051 | 0.84 | CA1 (0.43) | CA12CA2CA9CA1KDM4E | |
| Acetic Acid SCHEMBL1228994 | 0.84 | MAPT (0.42) | CA12CA2CA9CA1KDM4E | |
| Acetic Acid SCHEMBL1229135 | 0.82 | PTPN1 (0.44) | CA12CA2CA9PTPN1PTPN2 | |
| Acetic Acid SCHEMBL1228784 | 0.82 | CA2 (0.50) | CA12CA2CA9KDM4EERN1 | |
| Acetic Acid SCHEMBL1228535 | 0.82 | CA12 (0.37) | CA12CA2CA9CA1KDM4E |
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 |