Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762875 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL20839109 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL20839413 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL30762876 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL20839116 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL20839117 | 0.88 | ALDH1A1 (0.57) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL30762869 | 0.88 | KMT2A (0.58) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL20839427 | 0.88 | KMT2A (0.58) | ALDH1A1HPGDALDH2ARTDP1 | |
| SCHEMBL21629521 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HPGDKMT2AKDM4ERECQL | |
| SCHEMBL30228157 | 0.87 | ALDH2 (0.73) | ALDH1A1HPGDALDH2ARTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | 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 |