Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 15/20 | 0.56 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1298833 | 0.78 | IL4I1 (0.51) | GSK3B | |
| SCHEMBL26174487 | 0.74 | RIPK1 (0.57) | RIPK1GSK3BCDK5CDK5R1 | |
| SCHEMBL1748617 | 0.73 | RIPK1 (0.57) | RIPK1GSK3BCDK5CDK5R1 | |
| SCHEMBL15397139 | 0.72 | TGFBR1 (0.52) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL30716107 | 0.72 | ALDH1A1 (0.51) | GSK3B | |
| SCHEMBL12606346 | 0.72 | RIPK1 (0.56) | RIPK1GSK3BCDK5CDK5R1CCNB2 | |
| SCHEMBL2997190 | 0.72 | RIPK1 (1.00) | RIPK1GSK3BCDK5CDK5R1CCNB2 | |
| SCHEMBL31064965 | 0.72 | RIPK1 (1.00) | RIPK1GSK3BCDK5CDK5R1CCNB2 | |
| SCHEMBL28277239 | 0.72 | RIPK1 (0.68) | RIPK1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL1778505 | 0.71 | RIPK1 (0.74) | RIPK1GSK3BCDK5CDK5R1CCNB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7943616-B2 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-7943616-B2 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2233486-A1 | Azaindoles | Aventis Pharma Limited (GB) | 2010-09-29 | — | — | EP | disclosed |