Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 15/20 | 0.60 |
| ▸ | CCNB2 | O95067 | 15/20 | 0.60 |
| ▸ | CDK1 | P06493 | 15/20 | 0.60 |
| ▸ | CCNB1 | P14635 | 15/20 | 0.60 |
| ▸ | CCNB3 | Q8WWL7 | 15/20 | 0.60 |
| ▸ | CDK5 | Q00535 | 13/20 | 0.60 |
| ▸ | CDK5R1 | Q15078 | 13/20 | 0.60 |
| ▸ | GSK3A | P49840 | 9/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ITK | Q08881 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780727 | 0.83 | RIPK1 (0.59) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL4776375 | 0.78 | RAB9A (0.50) | GSK3BCYP19A1NPC1RAB9AITK | |
| SCHEMBL374022 | 0.78 | RAB9A (0.74) | GSK3BCYP19A1NPC1RAB9AITK | |
| SCHEMBL29631691 | 0.78 | RAB9A (0.74) | GSK3BCYP19A1NPC1RAB9AITK | |
| SCHEMBL5179280 | 0.77 | ITK (0.61) | GSK3BCYP19A1NPC1RAB9AITK | |
| SCHEMBL4725457 | 0.76 | RAB9A (0.52) | GSK3BCYP19A1NPC1RAB9AITK | |
| SCHEMBL490933 | 0.75 | CCNB2 (1.00) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL29912855 | 0.75 | CCNB2 (1.00) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL1778158 | 0.74 | CCNB2 (0.62) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL1779948 | 0.74 | CCNB2 (0.62) | GSK3BCCNB2CDK1CCNB1CCNB3 |
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-2008014249-A2 | IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS | SANOFI-AVENTIS (FR) | 2008-01-31 | — | — | WO | disclosed |