Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | MERTK | Q12866 | 2/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29490248 | 1.00 | RAD52 (0.37) | RAD52FLT1KDRTEKADORA2A | |
| SCHEMBL29490176 | 0.86 | HDAC1 (0.35) | MERTKHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22862466 | 0.86 | HDAC1 (0.35) | MERTKHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22862947 | 0.83 | RAD52 (0.43) | RAD52CYP11B1CYP11B2HDAC3HDAC4 | |
| SCHEMBL29490308 | 0.83 | RAD52 (0.43) | RAD52CYP11B1CYP11B2HDAC3HDAC4 | |
| SCHEMBL29490203 | 0.83 | MAPT (0.37) | RAD52 | |
| SCHEMBL22862712 | 0.82 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29490245 | 0.82 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL22862993 | 0.75 | SIGMAR1 (0.42) | RAD52CYP11B1CYP11B2 | |
| SCHEMBL22862463 | 0.75 | CYP11B1 (0.44) | RAD52CYP11B1CYP11B2BRD4 |
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-2021002986-A2 | BAX INHIBITORS AND USES THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 2021-01-07 | — | — | WO | disclosed |