Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 13/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 3/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | PAK4 | O96013 | 2/20 | 0.40 |
| ▸ | PRKACA | P17612 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4878463 | 1.00 | SYK (0.47) | SYKCYP2A6PIM1PIM3PIM2 | |
| SCHEMBL4772988 | 0.88 | CYP2A6 (0.45) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773025 | 0.79 | CYP2A6 (0.47) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4775378 | 0.79 | MERTK (0.52) | SYKCYP2A6PIM1PIM3PIM2 | |
| SCHEMBL4775400 | 0.76 | GBA1 (0.53) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4775007 | 0.75 | ALDH1A1 (0.38) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773121 | 0.73 | GPR39 (0.46) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4768751 | 0.73 | IRAK4 (0.46) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773440 | 0.72 | CYP2A6 (0.63) | CYP2A6PIM1PIM2NPC1TP53 | |
| SCHEMBL24589930 | 0.71 | CYP2A6 (0.67) | CYP2A6PIM1PIM2NPC1TP53 |
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 |