Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3084222 | 0.89 | S1PR1 (0.51) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL3088331 | 0.83 | CA1 (0.40) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL3086037 | 0.83 | S1PR1 (0.41) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL1179159 | 0.82 | S1PR1 (0.38) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL3092682 | 0.81 | S1PR1 (0.47) | S1PR1ALDH1A1MAPTS1PR3LMNA | |
| SCHEMBL3088027 | 0.81 | CA1 (0.39) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL3275729 | 0.81 | S1PR1 (0.44) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL1179435 | 0.75 | S1PR1 (0.36) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL1179422 | 0.74 | GRM5 (0.39) | S1PR1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL3086273 | 0.74 | S1PR1 (0.51) | S1PR1S1PR3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217594-B1 | NOVEL PYRIMIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-01-08 | — | — | EP | disclosed |
| US-8299086-B2 | Pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-30 | — | — | US | disclosed |
| US-20100234346-A1 | NOVEL PYRIMIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-16 | — | — | US | disclosed |
| EP-2217594-A2 | NOVEL PYRIMIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009057079-A2 | NOVEL PYRIMIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-05-07 | — | — | 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-20100234346-A1 | NOVEL PYRIMIDINE DERIVATIVES | TYMP, TYMS, DPYD | S1PR1 989/4885NPC1 2818/4885RAB9A 1842/4885 |
“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.