Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 12/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ATP4A | P20648 | 3/20 | 0.49 |
| ▸ | ATP4B | P51164 | 3/20 | 0.49 |
| ▸ | BRS3 | P32247 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 9/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 9/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 9/20 | 0.47 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9834801 | 0.93 | CYP2D6 (0.60) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9834850 | 0.92 | CYP3A4 (0.52) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9835266 | 0.91 | CYP2D6 (0.52) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9834790 | 0.85 | CYP1A2 (0.60) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL10686910 | 0.85 | BRS3 (0.66) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9834576 | 0.83 | CYP2D6 (0.60) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL10335253 | 0.83 | CYP1A2 (0.64) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9835253 | 0.83 | CYP1A2 (0.52) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL29693616 | 0.82 | CYP2C9 (0.65) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL13846375 | 0.82 | CYP2C9 (0.65) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4738975-A | Pyridine derivatives, and use as anti-ulcer agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-19 | — | — | US | claimed |
| EP-0208452-B1 | PYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1991-09-18 | — | — | EP | disclosed |
| US-4738975-A | Pyridine derivatives, and use as anti-ulcer agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-19 | — | — | US | disclosed |
| EP-0208452-A2 | Pyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-01-14 | — | — | EP | disclosed |