Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 3/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.38 |
| ▸ | KLK8 | O60259 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.38 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24137791 | 0.89 | GHSR (0.41) | KLK1KLK5MAP4K4CYP1A2CYP3A4 | |
| SCHEMBL24137494 | 0.88 | CYP11B2 (0.46) | LTA4HHDAC1HDAC3IKBKBKLK1 | |
| SCHEMBL24137848 | 0.81 | XDH (0.55) | IKBKBMKNK2XDHSLC22A12 | |
| SCHEMBL24137796 | 0.80 | LTA4H (0.42) | LTA4HHDAC1HDAC3CYP1A2CYP3A4 | |
| SCHEMBL24137794 | 0.79 | CYP11B2 (0.46) | LTA4HHDAC1HDAC3KLK1KLK5 | |
| SCHEMBL24137728 | 0.78 | KLK5 (0.43) | HDAC1HDAC3KLK5CYP11B2FYN | |
| SCHEMBL24137851 | 0.78 | KDM4E (0.41) | HDAC1CDC7MAP4K4GSK3BMKNK2 | |
| SCHEMBL24137915 | 0.73 | JAK2 (0.57) | CDC7ROCK2MAP4K4GSK3BCLK4 | |
| SCHEMBL24137536 | 0.71 | KLK5 (0.40) | HDAC1HDAC3KLK1KLK5KLK8 | |
| SCHEMBL22191140 | 0.70 | PDE3B (0.47) | LTA4HMAP4K4GSK3BCLK4MKNK2 |
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 |