Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8709739 | 0.86 | CYP3A4 (0.32) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710227 | 0.80 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710219 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL15068444 | 0.73 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8712772 | 0.70 | EGFR (0.36) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8020513 | 0.67 | ACHE (0.36) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8715570 | 0.67 | SRC (0.34) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710175 | 0.66 | KDM4E (0.36) | CYP2C19CYP2C9KDM4E | |
| SCHEMBL282475 | 0.66 | ALDH1A1 (0.47) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710153 | 0.65 | EGFR (0.33) | CYP3A4CYP2D6CYP2C19TSHRHIF1A |
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 |