Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | 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 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | LDHB | P07195 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2239978 | 0.79 | CYP1A2 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4774839 | 0.78 | DYRK1A (0.51) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4771477 | 0.78 | CYP2D6 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4773513 | 0.76 | CYP2A6 (0.44) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4775017 | 0.76 | CYP2A6 (0.44) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4773536 | 0.76 | CYP2A6 (0.44) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4765936 | 0.76 | CYP1A2 (0.41) | CYP1A2NPC1TSHRRAB9AADORA3 | |
| SCHEMBL3962124 | 0.76 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4766345 | 0.76 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 | |
| SCHEMBL4766379 | 0.76 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9NPC1 |
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 |