Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MC4R | P32245 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772986 | 0.82 | TRPM8 (0.38) | — | |
| SCHEMBL8711977 | 0.80 | CYP3A4 (0.34) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8712772 | 0.75 | EGFR (0.36) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8710153 | 0.73 | EGFR (0.33) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8020513 | 0.72 | ACHE (0.36) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL8024849 | 0.72 | PRKDC (0.40) | ACHEEGFR | |
| SCHEMBL282475 | 0.71 | ALDH1A1 (0.47) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL578735 | 0.70 | L3MBTL1 (0.43) | CYP3A4CYP2D6CYP2C19TSHRHIF1A | |
| SCHEMBL21609588 | 0.70 | PRKDC (0.42) | ACHEMEN1KMT2A | |
| SCHEMBL17100349 | 0.70 | CYP3A4 (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 |