Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4775017 | 1.00 | CYP2A6 (0.44) | CYP2A6CYP3A4CLK4CYP2D6CYP1A2 | |
| SCHEMBL4773513 | 1.00 | CYP2A6 (0.44) | CYP2A6CYP3A4CLK4CYP2D6CYP1A2 | |
| SCHEMBL4774839 | 0.88 | DYRK1A (0.51) | CYP2A6CYP3A4CYP1A2CYP2C9NPC1 | |
| SCHEMBL4773165 | 0.85 | CYP2A6 (0.39) | CYP2A6CYP3A4CLK4CYP2D6CYP1A2 | |
| SCHEMBL4773182 | 0.85 | CYP2A6 (0.39) | CYP2A6CYP3A4CLK4CYP2D6CYP1A2 | |
| SCHEMBL4766379 | 0.83 | CYP2A6 (0.46) | CYP2A6CYP3A4CLK4CYP2D6CYP1A2 | |
| SCHEMBL4766345 | 0.83 | CYP2A6 (0.46) | CYP2A6CYP3A4CLK4CYP2D6CYP1A2 | |
| SCHEMBL4766503 | 0.82 | CDK4 (0.47) | CLK4ECE1ROCK2PRKACAGSK3A | |
| SCHEMBL4773620 | 0.82 | CDK4 (0.47) | CLK4ECE1ROCK2PRKACAGSK3A | |
| SCHEMBL4766487 | 0.82 | CDK4 (0.47) | CLK4ECE1ROCK2PRKACAGSK3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |