Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431797 | 1.00 | CA12 (0.45) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28442068 | 1.00 | CA12 (0.45) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28434416 | 1.00 | CA12 (0.45) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28440550 | 0.95 | CA12 (0.46) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28437103 | 0.92 | HPGD (0.39) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28437100 | 0.92 | HPGD (0.39) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28434585 | 0.91 | CYP3A4 (0.41) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28438857 | 0.91 | CYP3A4 (0.41) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28897248 | 0.91 | CYP3A4 (0.41) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL28440360 | 0.91 | CYP3A4 (0.41) | CA12CA9KDM4EALDH1A1HPGD |
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-A | Coumarin derivatives, preparation method thereof and application thereof in cancer treatment | 利德发现中心有限责任公司 | 2020-07-07 | — | — | CN | claimed |
| CN-111386261-A | Coumarin derivatives, preparation method thereof and application thereof in cancer treatment | 利德发现中心有限责任公司 | 2020-07-07 | — | — | CN | disclosed |