Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30055992 | 0.90 | ALDH1A1 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20848082 | 0.90 | ALDH1A1 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL30055579 | 0.90 | ALDH1A1 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20839474 | 0.90 | ALDH1A1 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20839108 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20839111 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL30055582 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL30360867 | 0.89 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL26504356 | 0.89 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL20839423 | 0.88 | ALDH1A1 (0.63) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E |
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-3684762-B1 | COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2023-05-03 | — | — | EP | claimed |