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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 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 SCHEMBL1228068 | 0.95 | CA12 (0.40) | PTPN1PTPN2PTPN6CA12CA2 | |
| Acetic Acid SCHEMBL1228277 | 0.93 | PTPN1 (0.39) | PTPN1PTPN2PTPN6PTGS1MEN1 | |
| Acetic Acid SCHEMBL1228742 | 0.88 | PTPN1 (0.39) | PTPN1PTPN2PTPN6CA12CA2 | |
| Acetic Acid SCHEMBL1229265 | 0.88 | FNTA (0.40) | PTPN1PTPN2PTPN6CA12CA2 | |
| Acetic Acid SCHEMBL1229135 | 0.86 | PTPN1 (0.44) | PTPN1PTPN2PTPN6CA12CA2 | |
| Acetic Acid SCHEMBL1229048 | 0.86 | CA12 (0.39) | PTPN1PTPN2PTPN6CA12CA2 | |
| Acetic Acid SCHEMBL1229802 | 0.84 | ERN1 (0.41) | PTPN1PTPN2PTPN6PTGS1ERN1 | |
| Acetic Acid SCHEMBL1229077 | 0.84 | MAPT (0.37) | PTPN1PTPN2PTPN6KDM4EMEN1 | |
| Acetic Acid SCHEMBL1228224 | 0.83 | PTPN1 (0.36) | PTPN1PTPN2PTPN6CA12CA2 | |
| Acetic Acid SCHEMBL1228077 | 0.83 | PTGS2 (0.43) | PTPN1CA12CA2KDM4EERN1 |
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 |