Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 7/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23836947 | 1.00 | MELK (0.39) | MELKMAP4K4P2RX7BRAFNTRK1 | |
| SCHEMBL23837076 | 0.89 | MAP4K4 (0.41) | MELKMAP4K4NTRK1DGAT2NTRK3 | |
| SCHEMBL22014119 | 0.89 | MAP4K4 (0.41) | MELKMAP4K4NTRK1DGAT2NTRK3 | |
| SCHEMBL23837000 | 0.88 | MELK (0.38) | MELKMAP4K4P2RX7BRAFNTRK1 | |
| SCHEMBL23837037 | 0.82 | MELK (0.45) | MELKMAP4K4P2RX7NTRK1 | |
| SCHEMBL22013132 | 0.79 | MAP4K4 (0.39) | MELKMAP4K4P2RX7BRAFPDE10A | |
| SCHEMBL22013239 | 0.79 | MKNK1 (0.41) | MELKMAP4K4P2RX7PDE10A | |
| SCHEMBL23837023 | 0.79 | MKNK1 (0.41) | MELKMAP4K4P2RX7PDE10A | |
| SCHEMBL22013105 | 0.78 | NTRK1 (0.53) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL28605198 | 0.78 | NTRK1 (0.53) | NTRK1NTRK3NTRK2ROS1TNK2 |
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 |