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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 13/20 | 0.69 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
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 SCHEMBL27853060 | 1.00 | PLG (0.69) | PLGGABRA1GABRG2GABRB3P2RY14 | |
| SCHEMBL581284 | 0.94 | PLG (0.78) | PLGGABRA1GABRG2GABRB3 | |
| SCHEMBL581691 | 0.94 | PLG (0.78) | PLGGABRA1GABRG2GABRB3 | |
| SCHEMBL581777 | 0.94 | PLG (0.78) | PLGGABRA1GABRG2GABRB3 | |
| Bromide SCHEMBL582119 | 0.93 | PLG (0.76) | PLGGABRA1GABRG2GABRB3 | |
| Bromide SCHEMBL582118 | 0.92 | PLG (0.74) | PLGGABRA1GABRG2GABRB3 | |
| Acetic Acid SCHEMBL27869838 | 0.91 | PLG (0.70) | PLGGABRA1GABRG2GABRB3 | |
| Acetic Acid SCHEMBL27852942 | 0.91 | PLG (0.70) | PLGGABRA1GABRG2GABRB3 | |
| Acetic Acid SCHEMBL27852938 | 0.91 | PLG (0.70) | PLGGABRA1GABRG2GABRB3 | |
| Acetic Acid SCHEMBL28794646 | 0.90 | PLG (0.68) | PLGGABRA1GABRG2GABRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459246-B | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2014-05-07 | — | — | CN | disclosed |
| CN-102459246-A | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2012-05-16 | — | — | CN | disclosed |