Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | 0.82 | KCNH2 (0.47) | KCNH2CYP11B2KDRLTA4HFYN | |
| SCHEMBL24137473 | 0.80 | KCNH2 (0.43) | KCNH2CYP11B2KDRLTA4HFYN | |
| SCHEMBL13743125 | 0.77 | KCNH2 (0.56) | KCNH2CYP11B2KDRLTA4HFYN | |
| SCHEMBL24137472 | 0.76 | HTR7 (0.48) | EGFRCSNK2A1 | |
| SCHEMBL24137549 | 0.75 | FYN (0.61) | KCNH2CYP11B2KDRDHFRFYN | |
| SCHEMBL4932096 | 0.74 | KCNH2 (0.53) | KCNH2CYP11B2KDRLTA4HFYN | |
| SCHEMBL24137806 | 0.72 | METAP2 (0.54) | KCNH2CYP11B2KDRLTA4HFYN | |
| SCHEMBL24137560 | 0.72 | CDK2 (0.57) | KDRAKT1CSNK2A1CLK4 | |
| SCHEMBL24137469 | 0.72 | CYP11B2 (0.47) | KCNH2CYP11B2KDRDHFRFYN | |
| SCHEMBL28563905 | 0.71 | KCNH2 (0.51) | KCNH2CYP11B2KDRLTA4HFYN |
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 |