Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20839159 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20839161 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL22431759 | 1.00 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20839380 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL30762847 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20839381 | 0.89 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20839165 | 0.89 | ALDH1A1 (0.59) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL30763100 | 0.89 | ALDH1A1 (0.59) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20848072 | 0.89 | ALDH1A1 (0.59) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL20839151 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4333822-A1 | COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION | Lead Discovery Center GmbH (DE) | 2024-03-13 | — | — | EP | claimed |
| WO-2022233782-A1 | COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION | LEAD DISCOVERY CENTER GMBH (DE) | 2022-11-10 | — | — | WO | claimed |
| CN-111386261-B | Coumarin derivatives, process for their preparation and their use in the treatment of cancer | 利德发现中心有限责任公司 | 2024-03-22 | — | — | CN | disclosed |