Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4774839 | 0.84 | DYRK1A (0.51) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL4773536 | 0.80 | CYP2A6 (0.44) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL4773513 | 0.80 | CYP2A6 (0.44) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL4775017 | 0.80 | CYP2A6 (0.44) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL3962923 | 0.78 | CYP2A6 (0.43) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL2238401 | 0.75 | CYP2A6 (0.41) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL4773182 | 0.74 | CYP2A6 (0.39) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL4773165 | 0.74 | CYP2A6 (0.39) | CYP3A4CYP2C9CYP2A6NPC1TP53 | |
| SCHEMBL2239081 | 0.73 | CLK4 (0.54) | CYP3A4CYP2C9CYP2A6SMN1; SMN2DYRK1A | |
| SCHEMBL3962124 | 0.72 | CYP2A6 (0.46) | CYP3A4CYP2C9CYP2A6NPC1TP53 |
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 |