Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30775719 | 0.84 | AKR1B1 (0.39) | CYP2C19CYP2C9MAPK1CYP3A4MEN1 | |
| SCHEMBL28567531 | 0.83 | EPHX1 (0.35) | CYP2C19CYP2C9MAPK1CYP3A4MEN1 | |
| SCHEMBL29844715 | 0.76 | ESR1 (0.43) | MAPK1CYP3A4MEN1ALOX15KMT2A | |
| SCHEMBL29845009 | 0.76 | ESR1 (0.43) | MAPK1CYP3A4MEN1ALOX15KMT2A | |
| SCHEMBL28576537 | 0.76 | ESR1 (0.43) | MAPK1CYP3A4MEN1ALOX15KMT2A | |
| SCHEMBL30775718 | 0.76 | TOP2A (0.32) | AKR1B1 | |
| SCHEMBL27940067 | 0.68 | CYP2C19 (0.34) | CYP2C19CYP2C9MAPK1CYP3A4MEN1 | |
| SCHEMBL28748449 | 0.67 | CYP2C19 (0.41) | CYP2C19CYP2C9MAPK1CYP3A4MEN1 | |
| SCHEMBL27575057 | 0.65 | CYP2C19 (0.38) | CYP2C19CYP2C9MAPK1CYP3A4MEN1 | |
| SCHEMBL28484716 | 0.65 | NR3C1 (0.40) | MEN1KMT2ANR3C1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117658967-A | Preparation method of flavan-3, 4-diol derivative | 朗华生物科学(深圳)有限公司 | 2024-03-08 | — | — | CN | disclosed |