Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30775717 | 0.84 | CYP2C19 (0.40) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL3934882 | 0.80 | AKR1B1 (0.43) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL27575057 | 0.79 | CYP2C19 (0.38) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL28567531 | 0.77 | EPHX1 (0.35) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL30775718 | 0.70 | TOP2A (0.32) | AKR1B1 | |
| SCHEMBL27555026 | 0.67 | CYP2C19 (0.35) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL11843483 | 0.66 | ALDH1A1 (0.39) | AKR1B1CYP2C19CYP2C9KMT2AMEN1 | |
| SCHEMBL9327109 | 0.64 | POLB (0.55) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL27940067 | 0.63 | CYP2C19 (0.34) | AKR1B1CYP2C19CYP2C9MAPK1CYP3A4 | |
| SCHEMBL27712213 | 0.63 | ALDH1A1 (0.39) | CYP2C19CYP2C9KMT2AMEN1POLB |
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 |