Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | BRS3 | P32247 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | ATP4A | P20648 | 2/20 | 0.47 |
| ▸ | ATP4B | P51164 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 11/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 11/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 11/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9834576 | 0.92 | CYP2D6 (0.60) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6872845 | 0.92 | CYP2C9 (0.57) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9834790 | 0.90 | CYP1A2 (0.60) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10686902 | 0.89 | BRS3 (0.54) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10688090 | 0.89 | CYP1A2 (0.58) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9836498 | 0.87 | RAB9A (0.78) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6871855 | 0.85 | RUNX1 (0.52) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9526970 | 0.85 | CYP2D6 (0.68) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9834801 | 0.85 | CYP2D6 (0.60) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9561041 | 0.84 | CYP1A2 (0.76) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 |
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 |