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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 16/20 | 0.64 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.64 |
| ▸ | S1PR5 | Q9H228 | 8/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL948230 | 0.87 | S1PR1 (0.53) | S1PR1S1PR3S1PR5FFAR1LTA4H | |
| SCHEMBL947836 | 0.87 | LTA4H (0.64) | S1PR1S1PR3S1PR5FFAR1LTA4H | |
| SCHEMBL947855 | 0.85 | KDM4E (0.62) | S1PR1S1PR3S1PR5LTA4H | |
| SCHEMBL18593785 | 0.84 | S1PR1 (0.67) | S1PR1S1PR3S1PR5HTR2AOPRM1 | |
| SCHEMBL947218 | 0.84 | LTA4H (0.74) | S1PR1S1PR3S1PR5FFAR1LTA4H | |
| SCHEMBL3720953 | 0.80 | S1PR5 (0.76) | S1PR1S1PR3S1PR5FFAR1LTA4H | |
| SCHEMBL3713589 | 0.80 | S1PR5 (0.76) | S1PR1S1PR3S1PR5HTR2ASIGMAR1 | |
| SCHEMBL5174903 | 0.80 | LTA4H (0.74) | S1PR1S1PR3S1PR5FFAR1LTA4H | |
| SCHEMBL946051 | 0.79 | S1PR1 (0.63) | S1PR1S1PR3S1PR5 | |
| SCHEMBL947936 | 0.78 | S1PR1 (1.00) | S1PR1S1PR3S1PR5FFAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2883865-A1 | Compound capable of binding S1P receptor and pharmaceutical use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2015-06-17 | — | — | EP | disclosed |
| US-20140288034-A1 | COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-09-25 | — | — | US | disclosed |
| US-8791159-B2 | Compound capable of binding S1P receptor and pharmaceutical use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-07-29 | — | — | US | disclosed |
| US-20110020324-A1 | COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD (JP) | 2011-01-27 | — | — | US | disclosed |
| US-7825109-B2 | Compound capable of binding S1P receptor and pharmaceutical use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-11-02 | — | — | US | disclosed |
| US-20070167425-A1 | Compound capable of binding s1p receptor and pharmaceutical use thereof | ONO PHARMACEUTICAL CO., LTD (JP) | 2007-07-19 | — | — | US | disclosed |
| EP-1661881-A2 | COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-05-31 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140288034-A1 | COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF | S1PR1, S1PR2, S1PR3 | S1PR1 1/4885S1PR3 3/4885S1PR5 4/4885 |
| US-20070167425-A1 | Compound capable of binding s1p receptor and pharmaceutical use thereof | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885 |
| US-20110020324-A1 | COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.