Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 8/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MERTK | Q12866 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30908117 | 1.00 | NPC1 (0.37) | NPC1DGAT1MAPTKLKB1GABRA5 | |
| SCHEMBL30908118 | 1.00 | NPC1 (0.37) | NPC1DGAT1MAPTKLKB1GABRA5 | |
| SCHEMBL30908091 | 0.89 | NPC1 (0.39) | NPC1DGAT1MAPT | |
| SCHEMBL22013820 | 0.87 | NPC1 (0.39) | NPC1DGAT1MAPTKLKB1ATM | |
| SCHEMBL29900853 | 0.87 | NPC1 (0.39) | NPC1DGAT1MAPTKLKB1ATM | |
| SCHEMBL27077167 | 0.81 | P2RY12 (0.35) | NPC1KLKB1RAB9A | |
| SCHEMBL16532423 | 0.80 | ELANE (0.36) | NPC1DGAT1MAPT | |
| SCHEMBL29705468 | 0.80 | ELANE (0.36) | NPC1DGAT1MAPT | |
| SCHEMBL29930721 | 0.80 | MERTK (0.42) | NPC1DGAT1MAPTMAPK1MERTK | |
| SCHEMBL22013956 | 0.79 | DGAT1 (0.36) | NPC1DGAT1MAPT |
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-3919490-A1 | FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR | Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) | 2021-12-08 | — | — | EP | disclosed |
| WO-2020098720-A1 | FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR | 上海轶诺药业有限公司 | 2020-05-22 | — | — | WO | disclosed |