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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 SCHEMBL1229324 | 0.93 | PTPN1 (0.39) | PTPN1PTPN2PTPN6PTGS1SIRT1 | |
| Acetic Acid SCHEMBL1228068 | 0.90 | CA12 (0.40) | PTPN1PTPN2PTPN6PTGS1SIRT1 | |
| Acetic Acid SCHEMBL1228742 | 0.88 | PTPN1 (0.39) | PTPN1PTPN2PTPN6PTGS1SIRT1 | |
| Acetic Acid SCHEMBL1229265 | 0.88 | FNTA (0.40) | PTPN1PTPN2PTPN6MAPTMEN1 | |
| Acetic Acid SCHEMBL1229553 | 0.86 | MAPT (0.35) | PTPN1PTPN2PTPN6PTGS1SIRT1 | |
| Acetic Acid SCHEMBL1229720 | 0.86 | PTPN1 (0.44) | PTPN1PTPN2PTPN6PTGS1SIRT1 | |
| Acetic Acid SCHEMBL1229802 | 0.84 | ERN1 (0.41) | PTPN1PTPN2PTPN6PTGS1MAPT | |
| Acetic Acid SCHEMBL1229077 | 0.84 | MAPT (0.37) | PTPN1PTPN2PTPN6MAPTMEN1 | |
| Acetic Acid SCHEMBL1228224 | 0.83 | PTPN1 (0.36) | PTPN1PTPN2PTPN6PTGS1SIRT1 | |
| Acetic Acid SCHEMBL1229034 | 0.83 | PTGS2 (0.43) | PTPN1MEN1KMT2ACYP1A2SMN1; SMN2 |
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 |