Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SYNJ2 | O15056 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CBS | P35520 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29844715 | 1.00 | ESR1 (0.43) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL28576537 | 1.00 | ESR1 (0.43) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL30775717 | 0.76 | CYP2C19 (0.40) | CYP3A4MEN1KMT2AMAPTKDM4E | |
| SCHEMBL17523203 | 0.69 | GABRA1 (0.59) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL16150551 | 0.69 | GABRA1 (0.59) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL6510991 | 0.69 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL16150544 | 0.67 | KDM4E (0.78) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL29883615 | 0.67 | KDM4E (0.78) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL16160505 | 0.67 | KDM4E (0.78) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL15676682 | 0.67 | KDM4E (0.78) | ESR1ESR2CYP3A4MEN1KMT2A |
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-112961137-B | Flavan-3,4-diol derivative and extraction method and application thereof | 沈阳药科大学 | 2022-08-12 | — | — | CN | disclosed |