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 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP10 | P09238 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28439505 | 0.91 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL28432233 | 0.91 | CA12 (0.43) | CYP3A4CYP2C9CYP2C19ITGB1ITGA4 | |
| SCHEMBL28432234 | 0.91 | CA12 (0.43) | CYP3A4CYP2C9CYP2C19ITGB1ITGA4 | |
| SCHEMBL28434533 | 0.91 | CA12 (0.43) | CYP3A4CYP2C9CYP2C19ITGB1ITGA4 | |
| SCHEMBL28443101 | 0.91 | CA12 (0.43) | CYP3A4CYP2C9CYP2C19ITGB1ITGA4 | |
| SCHEMBL28434534 | 0.91 | CA12 (0.43) | CYP3A4CYP2C9CYP2C19ITGB1ITGA4 | |
| SCHEMBL28444500 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19ITGB1ITGA4 | |
| SCHEMBL28434585 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL28897248 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL28440360 | 0.89 | CYP3A4 (0.41) | 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 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 |