Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | ATR | Q13535 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 2/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.44 |
| ▸ | VCP | P55072 | 1/20 | 0.44 |
| ▸ | AOC1 | P19801 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29937574 | 0.97 | GBA1 (0.50) | GBA1KCNH2ATMATRKDM1A | |
| SCHEMBL29937887 | 0.82 | FYN (0.50) | KCNH2ATMATRKDM1AMAOA | |
| SCHEMBL6778508 | 0.81 | GBA1 (0.51) | GBA1NAMPTALDH1A1CYP3A4KDM4C | |
| SCHEMBL20729480 | 0.74 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL4148646 | 0.72 | KDM4C (0.45) | GBA1KCNH2ATMATRMKNK1 | |
| SCHEMBL20732473 | 0.72 | CYP3A4 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9679337 | 0.71 | EPHX1 (0.54) | ALDH1A1KDM4C | |
| SCHEMBL29666522 | 0.71 | CYP2A6 (0.65) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL17194812 | 0.71 | CYP2A6 (0.65) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL28188626 | 0.71 | MEN1 (0.46) | ALDH1A1CYP3A4 |
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-2022226203-A1 | PROTEASE INHIBITORS AND METHODS OF USE | THE CLEVELAND CLINIC FOUNDATION (US) | 2022-10-27 | — | — | WO | disclosed |