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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.56 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.67 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.67 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.50 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.50 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.50 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15890796 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL948087 | 0.92 | S1PR1 (0.62) | S1PR1S1PR3S1PR5ALDH1A1MAPT | |
| SCHEMBL7331861 | 0.89 | PLAAT3 (0.57) | S1PR1S1PR3ALDH1A1SMN1; SMN2PLAAT3 | |
| SCHEMBL15890934 | 0.88 | S1PR1 (0.69) | S1PR1S1PR3S1PR5ALDH1A1MAPT | |
| SCHEMBL946327 | 0.87 | ALDH1A1 (0.55) | S1PR1S1PR3S1PR5ALDH1A1MAPT | |
| SCHEMBL15890767 | 0.86 | S1PR1 (0.81) | S1PR1S1PR3S1PR5LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL948389 | 0.85 | S1PR1 (0.79) | S1PR1S1PR3S1PR5LMNAKMT2A | |
| Trifluoroacetic Acid SCHEMBL949497 | 0.83 | S1PR1 (0.61) | S1PR1S1PR3S1PR5ADRB2KMT2A | |
| SCHEMBL948088 | 0.82 | ALDH1A1 (0.52) | S1PR1S1PR3S1PR5ALDH1A1MAPT | |
| SCHEMBL15890942 | 0.81 | S1PR1 (0.81) | S1PR1S1PR3S1PR5LMNAKMT2A |
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 | ADRB2 105/4885S1PR1 1/4885S1PR3 3/4885 |
| US-20070167425-A1 | Compound capable of binding s1p receptor and pharmaceutical use thereof | S1PR1, S1PR3, S1PR2 | ADRB2 419/4885S1PR1 1/4885S1PR3 2/4885 |
| US-20110020324-A1 | COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF | S1PR1, S1PR3, S1PR2 | ADRB2 419/4885S1PR1 1/4885S1PR3 2/4885 |
“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.