Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 2/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL24137794 | 0.91 | CYP11B2 (0.46) | CYP11B2KDRKCNH2FYNCDC7 | |
| SCHEMBL24137914 | 0.88 | LTA4H (0.44) | CYP11B2FYNCDC7ROCK2MAP4K4 | |
| SCHEMBL24137851 | 0.84 | KDM4E (0.41) | KCNH2FYNCDC7MAP4K4GSK3B | |
| SCHEMBL24137728 | 0.84 | KLK5 (0.43) | CYP11B2KDRFYNHDAC1HDAC3 | |
| SCHEMBL24137848 | 0.83 | XDH (0.55) | MKNK2IKBKBXDHSLC22A12 | |
| SCHEMBL24137834 | 0.80 | KCNH2 (0.44) | CYP11B2KDRKCNH2FYNCDC7 | |
| SCHEMBL24137791 | 0.80 | GHSR (0.41) | MAP4K4KLK1KLK5DHFRXDH | |
| SCHEMBL13743125 | 0.77 | KCNH2 (0.56) | CYP11B2KDRKCNH2FYNCLK4 | |
| SCHEMBL24137549 | 0.76 | FYN (0.61) | CYP11B2KDRKCNH2FYNMKNK2 | |
| SCHEMBL4191787 | 0.74 | FYN (0.71) | CYP11B2KDRKCNH2FYNEGFR |
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 |