Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28443099 | 0.92 | CA12 (0.42) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28434585 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28440360 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28438857 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28897248 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28432337 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL30762846 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL30762987 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28434409 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28897111 | 0.88 | ALDH1A1 (0.48) | ALDH1A1KDM4ESMN1; SMN2HPGDKMT2A |
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 |