Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 5/20 | 0.42 |
| ▸ | CDK2 | P24941 | 5/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 7/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3129844 | 1.00 | CCNE1 (0.42) | CCNE1CDK2GSK3BADORA3ADORA2A | |
| SCHEMBL3129863 | 1.00 | CCNE1 (0.42) | CCNE1CDK2GSK3BADORA3ADORA2A | |
| SCHEMBL3133082 | 0.88 | ADORA3 (0.45) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL3131664 | 0.88 | ADORA3 (0.45) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL3131648 | 0.88 | ADORA3 (0.45) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL3134241 | 0.88 | CCNE1 (0.44) | CCNE1CDK2GSK3BADORA3RAB9A | |
| SCHEMBL3134247 | 0.88 | CCNE1 (0.44) | CCNE1CDK2GSK3BADORA3RAB9A | |
| SCHEMBL3127565 | 0.87 | CYP3A4 (0.45) | CCNE1CDK2GSK3BADORA3NPC1 | |
| SCHEMBL3127556 | 0.87 | CYP3A4 (0.45) | CCNE1CDK2GSK3BADORA3NPC1 | |
| SCHEMBL3123715 | 0.86 | ADORA3 (0.39) | ADORA3ADORA2AADORA1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689721-B1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2010-07-14 | — | — | EP | claimed |
| US-7671072-B2 | Aminopyrazole derivatives as GSK-3 inhibitors | PFIZER INC. (US) | 2010-03-02 | — | — | US | claimed |
| EP-1689721-B1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2010-07-14 | — | — | EP | disclosed |