Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8712772 | 0.87 | EGFR (0.36) | EGFRERBB2CYP3A4CYP2D6TSHR | |
| SCHEMBL8709739 | 0.78 | CYP3A4 (0.32) | EGFRERBB2CYP3A4CYP2D6TSHR | |
| SCHEMBL8712930 | 0.74 | ALDH1A1 (0.32) | EGFRERBB2S1PR4 | |
| SCHEMBL8710227 | 0.73 | CYP3A4 (0.36) | EGFRERBB2CYP3A4CYP2D6TSHR | |
| SCHEMBL8715493 | 0.71 | SGMS2 (0.37) | CYP2C19KMT2A | |
| SCHEMBL8137013 | 0.68 | ALDH1A1 (0.45) | TRPM8CYP2C19PKMAR | |
| SCHEMBL282475 | 0.67 | ALDH1A1 (0.47) | EGFRERBB2CYP3A4CYP2D6TSHR | |
| SCHEMBL27978087 | 0.66 | TRPM8 (0.42) | TRPM8ARKEAP1 | |
| SCHEMBL8711977 | 0.65 | CYP3A4 (0.34) | CYP3A4CYP2D6TSHRCYP2C19HIF1A | |
| SCHEMBL31041181 | 0.64 | TSHR (0.37) | CYP3A4CYP2D6TSHRCYP2C19HIF1A |
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 |