Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 12/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 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 | |
|---|---|---|---|---|
| SCHEMBL23837016 | 1.00 | PDE10A (0.45) | PDE10AMAP4K4CYP2C19PIK3CAMELK | |
| SCHEMBL22013645 | 0.84 | MAP4K4 (0.55) | PDE10AMAP4K4 | |
| SCHEMBL3168429 | 0.79 | CYP8B1 (0.50) | PDE10ACYP2C19PIK3CA | |
| SCHEMBL22013079 | 0.76 | NTRK1 (0.49) | — | |
| SCHEMBL29692826 | 0.76 | NTRK1 (0.49) | — | |
| SCHEMBL23825244 | 0.76 | NTRK1 (0.49) | — | |
| SCHEMBL22013097 | 0.76 | NTRK1 (0.49) | — | |
| SCHEMBL29692886 | 0.76 | NTRK1 (0.49) | — | |
| SCHEMBL22013651 | 0.76 | MAP4K4 (0.41) | PDE10AMAP4K4MELK | |
| SCHEMBL23837076 | 0.75 | MAP4K4 (0.41) | MAP4K4MELK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882247-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020098723-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | 上海轶诺药业有限公司 | 2020-05-22 | — | — | WO | disclosed |