Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.45 |
| ▸ | ATM | Q13315 | 3/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | GPR39 | O43194 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | PDE1A | P54750 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4775378 | 0.87 | MERTK (0.52) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4773261 | 0.79 | SYK (0.47) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4878463 | 0.79 | SYK (0.47) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4772988 | 0.79 | CYP2A6 (0.45) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL4775400 | 0.78 | GBA1 (0.53) | CYP2A6SMN1; SMN2NPC1TP53PKM | |
| SCHEMBL2239462 | 0.75 | ATR (0.49) | ATRPIK3CALRRK2 | |
| SCHEMBL2238528 | 0.74 | CYP1A2 (0.50) | SMN1; SMN2NPC1TP53PKMTSHR | |
| SCHEMBL2240097 | 0.74 | TGFBR1 (0.52) | ATR | |
| SCHEMBL4773053 | 0.74 | MTOR (0.44) | SMN1; SMN2NPC1TP53PKMTSHR | |
| SCHEMBL19498476 | 0.73 | CARM1 (0.43) | KCNH2ATMATRPIK3CAPDE1A |
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 |