Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 5/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | FYN | P06241 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24137872 | 0.85 | KCNH2 (0.47) | KCNH2CYP11B2CCNE1CDK2CDK5 | |
| SCHEMBL24137475 | 0.80 | KCNH2 (0.46) | KCNH2CYP11B2KDREGFRPIK3CA | |
| SCHEMBL19260110 | 0.76 | KDR (0.60) | CCNE1CDK2CDK5KDRGSTO1 | |
| SCHEMBL13743125 | 0.73 | KCNH2 (0.56) | KCNH2CYP11B2KDREGFRPIK3CA | |
| SCHEMBL5703531 | 0.72 | CCNE1 (0.58) | CCNE1CDK2CDK5KDRNAMPT | |
| SCHEMBL4932096 | 0.69 | KCNH2 (0.53) | KCNH2CYP11B2CDK5KDRFYN | |
| SCHEMBL24137806 | 0.68 | METAP2 (0.54) | KCNH2CYP11B2KDRALDH1A1FYN | |
| SCHEMBL28563905 | 0.67 | KCNH2 (0.51) | KCNH2CYP11B2CCNE1CDK2KDR | |
| SCHEMBL21591750 | 0.67 | LTA4H (0.49) | KCNH2KDRALDH1A1LTA4HCHRNB2 | |
| SCHEMBL22191227 | 0.67 | PDE3B (0.47) | KCNH2CYP11B2CDK2CDK5KDR |
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-2021263129-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2021-12-30 | — | — | WO | disclosed |