Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.57 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.51 |
| ▸ | CDK1 | P06493 | 2/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | ULK1 | O75385 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | KIT | P10721 | 6/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18944010 | 0.84 | BRD4 (0.51) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL23912160 | 0.81 | BRD4 (0.48) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL18918667 | 0.81 | ULK1 (0.59) | BRD4PIK3CGULK1KIT | |
| SCHEMBL18971670 | 0.78 | CSF1R (0.39) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL19909299 | 0.78 | BRD4 (0.51) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL1777126 | 0.78 | BRD4 (0.59) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL18918755 | 0.77 | ULK1 (0.60) | BRD4PIK3CGULK1KIT | |
| SCHEMBL20034085 | 0.77 | BRD4 (0.45) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL19909156 | 0.76 | BRD4 (0.51) | BRD4CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL13680562 | 0.74 | CDK8 (0.58) | BRD4CDK1CDK5PIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| EP-3386980-B1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2021-10-13 | — | — | EP | disclosed |