Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950057 | 0.82 | CYP2D6 (0.57) | CYP2D6CYP2C9HIF1AKCNN4MAPT | |
| SCHEMBL22722998 | 0.81 | KMT2A (0.50) | CYP2D6CYP2C9HIF1AHSD11B1NPC1 | |
| SCHEMBL22722989 | 0.81 | KMT2A (0.50) | CYP2D6CYP2C9HIF1AHSD11B1NPC1 | |
| SCHEMBL3558732 | 0.81 | KMT2A (0.50) | CYP2D6CYP2C9HIF1AHSD11B1NPC1 | |
| SCHEMBL28905915 | 0.79 | CYP2C9 (0.58) | CYP2D6CYP2C9HIF1ANPC1RAB9A | |
| SCHEMBL11996666 | 0.78 | KCNN4 (0.44) | CYP2D6CYP2C9HIF1AKCNN4HSD11B1 | |
| SCHEMBL2769055 | 0.74 | RAB9A (0.47) | CYP2D6CYP2C9HIF1AKCNN4HSD11B1 | |
| SCHEMBL29226498 | 0.74 | RAB9A (0.47) | CYP2D6CYP2C9HIF1AKCNN4HSD11B1 | |
| SCHEMBL2769597 | 0.74 | RAB9A (0.47) | CYP2D6CYP2C9HIF1AKCNN4HSD11B1 | |
| SCHEMBL19448772 | 0.73 | CYP3A4 (0.56) | CYP2D6CYP2C9KCNN4HSD11B1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105980387-A | Serine/threonine kinase inhibitors | 阵列生物制药公司 | 2016-09-28 | — | — | CN | disclosed |