Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 8/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL29900853 | 1.00 | NPC1 (0.39) | NPC1DGAT1MAPTKLKB1ATM | |
| SCHEMBL30908117 | 0.87 | NPC1 (0.37) | NPC1DGAT1MAPTKLKB1ATM | |
| SCHEMBL30908118 | 0.87 | NPC1 (0.37) | NPC1DGAT1MAPTKLKB1ATM | |
| SCHEMBL22013944 | 0.87 | NPC1 (0.37) | NPC1DGAT1MAPTKLKB1ATM | |
| SCHEMBL18547984 | 0.81 | NPC1 (0.47) | NPC1DGAT1MAPTKLKB1ABHD6 | |
| SCHEMBL27077167 | 0.81 | P2RY12 (0.35) | NPC1KLKB1RAB9A | |
| SCHEMBL29900915 | 0.79 | DGAT1 (0.38) | NPC1DGAT1 | |
| SCHEMBL1593371 | 0.79 | DGAT1 (0.38) | NPC1DGAT1 | |
| SCHEMBL19250755 | 0.79 | NPC1 (0.32) | NPC1DGAT1MAPT | |
| SCHEMBL27215111 | 0.79 | DGAT1 (0.38) | NPC1DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |