Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 13/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 13/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL2834841 | 0.89 | S1PR3 (0.55) | S1PR3CDC7DBF4ALDH1A1MAPK14 | |
| SCHEMBL2833219 | 0.89 | CYP1A2 (0.54) | S1PR3CYP1A2CDC7DBF4ALDH1A1 | |
| SCHEMBL2830731 | 0.89 | CYP1A2 (0.54) | S1PR3CYP1A2CDC7DBF4ALDH1A1 | |
| SCHEMBL2829645 | 0.87 | MAPT (0.51) | S1PR3CYP1A2 | |
| SCHEMBL2833745 | 0.81 | CYP1A2 (0.61) | CYP1A2CDC7DBF4ALDH1A1HPGD | |
| SCHEMBL13292044 | 0.81 | CYP1A2 (0.53) | CYP1A2CDC7DBF4ALDH1A1HPGD | |
| SCHEMBL2834535 | 0.81 | LMNA (0.46) | CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9696114 | 0.81 | POLB (0.54) | CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL2832078 | 0.81 | CYP1A2 (0.50) | S1PR3CYP1A2CDC7DBF4ALDH1A1 | |
| SCHEMBL2837678 | 0.80 | CYP1A2 (0.55) | S1PR3CYP1A2ALDH1A1HPGDHSD17B10 |
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 6 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 |
| 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-2008030843-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST 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 |
| 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 | S1PR3 2/4885CYP1A2 1133/4885CDC7 2356/4885 |
“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.