Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 5/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MET | P08581 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272936 | 0.87 | CNR2 (0.52) | PTPN11 | |
| SCHEMBL7282145 | 0.85 | CNR2 (0.56) | PTPN11 | |
| SCHEMBL7714702 | 0.78 | HRH4 (0.58) | HRH4CYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL2167151 | 0.78 | HRH4 (0.61) | HRH4CYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL975784 | 0.73 | CYP2D6 (0.57) | PTPN11CYP2D6SCN2A | |
| SCHEMBL6049559 | 0.73 | FGFR1 (0.49) | PTPN11CYP2D6SCN2A | |
| SCHEMBL2164938 | 0.72 | HRH4 (1.00) | HRH4 | |
| SCHEMBL6049544 | 0.70 | PTPN1 (0.55) | PTPN11CYP2D6SCN2A | |
| SCHEMBL2166254 | 0.70 | HRH4 (0.73) | HRH4 | |
| SCHEMBL12922478 | 0.70 | SCN9A (0.74) | PTPN11HRH4CYP2D6KCNK2SCN2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | claimed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | disclosed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |