Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 12/20 | 0.45 |
| ▸ | CDK2 | P24941 | 11/20 | 0.45 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | IDH2 | P48735 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23547459 | 0.93 | CDK9 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547353 | 0.93 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31064056 | 0.90 | ALDH1A1 (0.46) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31064050 | 0.90 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547338 | 0.89 | CDK2 (0.57) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL30865954 | 0.88 | CDK2 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547485 | 0.88 | ALDH1A1 (0.52) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31064339 | 0.86 | CDK9 (0.46) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547346 | 0.86 | CDK9 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31063951 | 0.85 | CDK9 (0.45) | ALDH1A1NPC1MAPTMAPK1HTT |
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-2021121390-A1 | HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF | 苏州信诺维医药科技股份有限公司 | 2021-06-24 | — | — | WO | disclosed |