Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.49 |
| ▸ | BRS3 | P32247 | 1/20 | 0.46 |
| ▸ | ATP4A | P20648 | 6/20 | 0.46 |
| ▸ | ATP4B | P51164 | 6/20 | 0.46 |
| ▸ | ATP1A1 | P05023 | 4/20 | 0.46 |
| ▸ | ATP1B1 | P05026 | 4/20 | 0.46 |
| ▸ | ATP1A3 | P13637 | 4/20 | 0.46 |
| ▸ | ATP1B2 | P14415 | 4/20 | 0.46 |
| ▸ | ATP1A2 | P50993 | 4/20 | 0.46 |
| ▸ | ATP1B3 | P54709 | 4/20 | 0.46 |
| ▸ | FXYD2 | P54710 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8133873 | 0.92 | CYP1A2 (0.55) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8135832 | 0.90 | CYP2C9 (0.62) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8136711 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8122272 | 0.89 | CYP2D6 (0.58) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL26765183 | 0.88 | CYP1A2 (0.59) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8125810 | 0.86 | RAB9A (0.72) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL26765023 | 0.85 | CYP1A2 (0.76) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL26765214 | 0.84 | CYP2D6 (0.61) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL26762537 | 0.84 | BRS3 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9526554 | 0.84 | ATP4A (0.63) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0481764-B1 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-03-29 | — | — | EP | claimed |
| US-5312824-A | Certain 2-[(4-difluoromethoxy-2-pyridyl)-methylthio or methylsulfinyl-5-benzimidazoles useful for treating peptic ulcers | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-05-17 | — | — | US | claimed |