Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL4773182 | 1.00 | CYP2A6 (0.39) | CYP2A6CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4775017 | 0.85 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4773513 | 0.85 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4773536 | 0.85 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4774839 | 0.85 | DYRK1A (0.51) | CYP2A6CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4773528 | 0.82 | PTGDR (0.43) | CYP2A6CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4766503 | 0.81 | CDK4 (0.47) | DYRK1ADYRK3CDK2PIM1CLK4 | |
| SCHEMBL4773620 | 0.81 | CDK4 (0.47) | DYRK1ADYRK3CDK2PIM1CLK4 | |
| SCHEMBL4766487 | 0.81 | CDK4 (0.47) | DYRK1ADYRK3CDK2PIM1CLK4 | |
| SCHEMBL4773065 | 0.79 | ADORA1 (0.43) | CYP2A6SMN1; SMN2NPC1TP53RAB9A |
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 |