Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.39 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL20688150 | 1.00 | ATM (0.46) | ATMEPHX2ALDH1A1KDM4ETLR4 | |
| SCHEMBL10082245 | 0.88 | EPHX2 (0.51) | ATMEPHX2ALDH1A1KDM4EMTNR1A | |
| SCHEMBL12409147 | 0.88 | EPHX2 (0.51) | ATMEPHX2ALDH1A1KDM4EMTNR1A | |
| SCHEMBL12409405 | 0.88 | EPHX2 (0.51) | ATMEPHX2ALDH1A1KDM4EMTNR1A | |
| SCHEMBL22996466 | 0.85 | ATM (0.50) | ATMEPHX2ALDH1A1KDM4ETLR4 | |
| SCHEMBL21452828 | 0.85 | ATM (0.50) | ATMEPHX2ALDH1A1KDM4ETLR4 | |
| SCHEMBL20654282 | 0.85 | ATM (0.50) | ATMEPHX2ALDH1A1KDM4ETLR4 | |
| SCHEMBL20488506 | 0.84 | EPHX2 (0.45) | EPHX2MAPK8DPP4DPP7 | |
| SCHEMBL20488504 | 0.84 | EPHX2 (0.45) | EPHX2MAPK8DPP4DPP7 | |
| SCHEMBL11435669 | 0.82 | ATM (0.44) | ATMEPHX2ALDH1A1KDM4ETLR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |