Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 14/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 12/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3091214 | 0.88 | S1PR1 (0.37) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL3092376 | 0.82 | NR1H4 (0.36) | S1PR1NR1H4POLBLMNASMN1; SMN2 | |
| SCHEMBL3084682 | 0.80 | S1PR1 (0.38) | S1PR1KDM4ES1PR3NPC1LMNA | |
| SCHEMBL3082970 | 0.79 | S1PR1 (0.37) | S1PR1S1PR3 | |
| SCHEMBL27828602 | 0.78 | ADORA1 (0.40) | S1PR1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL3406441 | 0.77 | S1PR1 (0.47) | S1PR1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL27773409 | 0.76 | S1PR1 (0.40) | S1PR1S1PR3 | |
| SCHEMBL3402136 | 0.74 | S1PR1 (0.43) | S1PR1NR1H4S1PR3 | |
| SCHEMBL3225305 | 0.74 | S1PR1 (0.40) | S1PR1CYP2C19S1PR3TSHRHSD17B10 | |
| SCHEMBL3276104 | 0.70 | S1PR1 (0.56) | S1PR1KDM4EALDH1A1HPGDMAPT |
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-2217594-B1 | NOVEL PYRIMIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-01-08 | — | — | EP | disclosed |
| CN-101970430-B | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2013-05-08 | — | — | CN | disclosed |
| US-8299086-B2 | Pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-30 | — | — | US | disclosed |
| CN-101970430-A | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-09 | — | — | CN | 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 989/4885NR1H4 2310/4885KDM4E 1738/4885 |
“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.