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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL3908002 | 0.98 | PTPN1 (0.83) | PTPN1PTPN2 | |
| SCHEMBL3909575 | 0.90 | PTPN1 (0.82) | PTPN1PTPN2 | |
| SCHEMBL3907459 | 0.89 | PTPN1 (1.00) | PTPN1PTPN2 | |
| SCHEMBL6265656 | 0.87 | PTPN1 (0.68) | PTPN1 | |
| SCHEMBL3907306 | 0.86 | PTPN1 (0.84) | PTPN1PTPN2 | |
| SCHEMBL3910911 | 0.86 | PTPN1 (0.66) | PTPN1PTPN2 | |
| SCHEMBL3913254 | 0.83 | PTPN1 (0.86) | PTPN1PTPN2 | |
| SCHEMBL3918501 | 0.82 | PTPN1 (0.67) | PTPN1PTPN2 | |
| SCHEMBL3907445 | 0.81 | PTPN1 (0.79) | PTPN1PTPN2 | |
| SCHEMBL3912186 | 0.81 | PTPN1 (0.79) | PTPN1PTPN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005081954-A2 | INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B | WYETH (US) | 2005-09-09 | — | — | WO | disclosed |