Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4772988 | 0.77 | CYP2A6 (0.45) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4878463 | 0.75 | SYK (0.47) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773261 | 0.75 | SYK (0.47) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4775378 | 0.74 | MERTK (0.52) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773025 | 0.72 | CYP2A6 (0.47) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4775400 | 0.72 | GBA1 (0.53) | ALDH1A1CYP2A6CYP3A4NPC1TP53 | |
| SCHEMBL2238265 | 0.70 | CYP3A4 (0.45) | ALDH1A1L3MBTL1CYP2A6CYP2C9CYP3A4 | |
| SCHEMBL2239929 | 0.69 | CYP3A4 (0.65) | ALDH1A1L3MBTL1CYP2A6CYP2C9CYP3A4 | |
| SCHEMBL4773536 | 0.68 | CYP2A6 (0.44) | ALDH1A1CYP2A6CYP2C9CYP3A4NPC1 | |
| SCHEMBL4773513 | 0.68 | CYP2A6 (0.44) | ALDH1A1CYP2A6CYP2C9CYP3A4NPC1 |
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 |