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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL301774 | 0.82 | — | — | |
| SCHEMBL31576112 | 0.82 | — | — | |
| SCHEMBL289341 | 0.82 | — | — | |
| SCHEMBL301496 | 0.82 | — | — | |
| SCHEMBL5837312 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL699513 | 0.80 | — | — | |
| SCHEMBL301169 | 0.80 | — | — | |
| Acetic Acid SCHEMBL342646 | 0.79 | CA1 (0.38) | CA1EPHX1CES2CES1 | |
| Acetic Acid SCHEMBL202979 | 0.79 | CA1 (0.38) | CA1EPHX1CES2CES1 | |
| SCHEMBL31627080 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7148302-B2 | Polymerizing a norbornene-functional monomer in a solvent in the presence of a catalyst system: consists (a) palladium or a palladium compound (b) a compound selected from fluorinated alcohols, fluorinated acids, and ionic liquids | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-12-12 | — | — | US | disclosed |
| US-7122611-B2 | Catalyst for polymerization of norbornene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-10-17 | — | — | US | disclosed |
| US-20060173143-A1 | Catalyst for polymerization of norbornene | THE GOODYEAR TIRE & RUBBER COMPANY | 2006-08-03 | — | — | US | disclosed |
| US-20060074206-A1 | Catalyst for polymerization of norbornene | THE GOODYEAR TIRE & RUBBER COMPANY | 2006-04-06 | — | — | US | disclosed |