Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 19/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 14/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1179888 | 0.90 | ESR1 (0.36) | ESR1S1PR1S1PR3S1PR5 | |
| SCHEMBL1180310 | 0.80 | S1PR1 (0.40) | ESR1S1PR1S1PR3S1PR5 | |
| SCHEMBL1179764 | 0.78 | S1PR1 (0.34) | S1PR1S1PR3 | |
| SCHEMBL1179245 | 0.78 | S1PR1 (0.37) | S1PR1S1PR3 | |
| SCHEMBL1179431 | 0.76 | ESR1 (0.49) | ESR1S1PR1S1PR3 | |
| SCHEMBL1179102 | 0.76 | S1PR1 (0.33) | S1PR1S1PR3 | |
| SCHEMBL1179721 | 0.76 | S1PR1 (0.38) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1179697 | 0.76 | S1PR1 (0.36) | S1PR1S1PR3 | |
| SCHEMBL1179359 | 0.73 | S1PR1 (0.36) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1178939 | 0.73 | S1PR1 (0.37) | ESR1S1PR1S1PR3 |
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-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-02-24 | — | — | US | claimed |
| EP-2262800-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-22 | — | — | EP | claimed |
| WO-2009109907-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-09-11 | — | — | WO | claimed |
| US-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-02-24 | — | — | US | disclosed |
| EP-2262800-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009109907-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-09-11 | — | — | WO | 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-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | TYMP, DPYD, ENTPD5 | ESR1 3891/4885S1PR1 766/4885S1PR3 709/4885 |
“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.