Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8710153 | 0.87 | EGFR (0.33) | EGFRERBB2PKMMEN1KMT2A | |
| SCHEMBL8712930 | 0.84 | ALDH1A1 (0.32) | EGFRERBB2HTTKDM4EMAPT | |
| SCHEMBL8709739 | 0.83 | CYP3A4 (0.32) | EGFRERBB2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8715493 | 0.78 | SGMS2 (0.37) | KMT2ACYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL8710227 | 0.75 | CYP3A4 (0.36) | EGFRERBB2PKMMEN1KMT2A | |
| SCHEMBL282475 | 0.72 | ALDH1A1 (0.47) | EGFRERBB2MEN1KMT2AHTT | |
| SCHEMBL8020513 | 0.71 | ACHE (0.36) | EGFRERBB2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8711977 | 0.70 | CYP3A4 (0.34) | CYP2C19CYP3A4CYP2D6TSHRHIF1A | |
| SCHEMBL31041181 | 0.68 | TSHR (0.37) | MEN1KMT2AHTTCYP2C19CYP3A4 | |
| SCHEMBL31082087 | 0.68 | MEN1 (0.35) | MEN1KMT2ACYP2D6KDM4EMAPT |
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 |