Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 6/20 | 0.46 |
| ▸ | RARA | P10276 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RARG | P13631 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | IRS1 | P35568 | 1/20 | 0.44 |
| ▸ | GAB1 | Q13480 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2831175 | 1.00 | ALDH1A1 (0.54) | ALDH1A1GPR84HSD11B1SCN9ARARB | |
| SCHEMBL2833332 | 0.92 | ALDH1A1 (0.58) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL2830958 | 0.88 | ALDH1A1 (0.62) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL2830168 | 0.88 | ALDH1A1 (0.62) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL30712638 | 0.87 | ALDH1A1 (0.70) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL2831674 | 0.87 | ALDH1A1 (0.70) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL2832933 | 0.84 | ALDH1A1 (0.63) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL2831620 | 0.84 | ALDH1A1 (0.63) | ALDH1A1SCN9ARARBRARAMAPT | |
| SCHEMBL2832080 | 0.79 | ALDH1A1 (0.56) | ALDH1A1SCN9ARARBRARAMEN1 | |
| SCHEMBL2832159 | 0.79 | ALDH1A1 (0.56) | ALDH1A1SCN9ARARBRARAMEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| US-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| US-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| EP-2066633-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-10 | — | — | EP | disclosed |
| EP-2064183-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030838-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008030838-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008030843-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | US | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | US | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | US | 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 (1 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-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | S1PR4, S1PR3, S1PR1 | ALDH1A1 3205/4885GPR84 72/4885HSD11B1 384/4885 |
“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.