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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.75 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.74 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL1661462 | 0.95 | S1PR1 (0.79) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662104 | 0.89 | S1PR1 (0.77) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662591 | 0.86 | S1PR1 (0.81) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1661203 | 0.85 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662644 | 0.85 | S1PR1 (0.79) | S1PR1S1PR3S1PR5 | |
| Acetic Acid SCHEMBL1662265 | 0.85 | S1PR1 (0.84) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662028 | 0.85 | S1PR1 (0.84) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662802 | 0.85 | S1PR1 (0.84) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662119 | 0.85 | S1PR1 (0.84) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1662222 | 0.85 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |