Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.35 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CDK7 | P50613 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20607670 | 0.86 | TLR8 (0.47) | CDK1KDRCA2CDK2CDK4 | |
| SCHEMBL3018852 | 0.76 | CRHR1 (0.38) | ATR | |
| SCHEMBL21388100 | 0.73 | ADORA3 (0.35) | ATR | |
| SCHEMBL3950754 | 0.71 | MAPK1 (0.38) | — | |
| SCHEMBL7322176 | 0.70 | ADORA2A (0.37) | ATRGRM5 | |
| SCHEMBL30588876 | 0.70 | ADORA2A (0.37) | ATRGRM5 | |
| SCHEMBL19174161 | 0.70 | LDHA (0.46) | ATR | |
| SCHEMBL28104016 | 0.69 | PDE10A (0.40) | ATR | |
| SCHEMBL481775 | 0.69 | LDHB (0.57) | — | |
| SCHEMBL481774 | 0.69 | LDHB (0.57) | — |
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-2925319-B1 | MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES | UNIV ROCHESTER (US) | 2019-01-09 | — | — | EP | disclosed |