Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL8715570 | 0.89 | SRC (0.34) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710175 | 0.88 | KDM4E (0.36) | CYP2C19CYP2C9PTGDR2KDM4EALDH1A1 | |
| SCHEMBL8709054 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710460 | 0.81 | HPGD (0.47) | CYP2C19CYP2C9KDM4EALDH1A1MAPT | |
| SCHEMBL8711977 | 0.76 | CYP3A4 (0.34) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL15068444 | 0.73 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8709739 | 0.73 | CYP3A4 (0.32) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL3328668 | 0.69 | PTGDR2 (0.68) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8709890 | 0.68 | RAB9A (0.37) | KDM4EALDH1A1 | |
| SCHEMBL8712430 | 0.67 | MEN1 (0.33) | KDM4EALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |