Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29965991 | 1.00 | ESR1 (0.45) | ESR1ESR2L3MBTL1ALDH1A1TP53 | |
| SCHEMBL29965504 | 0.82 | SMN1; SMN2 (0.44) | L3MBTL1ALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL28937085 | 0.82 | SMN1; SMN2 (0.44) | L3MBTL1ALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL29965072 | 0.79 | TSHR (0.45) | ESR1ALDH1A1TP53CYP3A4HSD17B10 | |
| SCHEMBL28291660 | 0.79 | TSHR (0.45) | ESR1ALDH1A1TP53CYP3A4HSD17B10 | |
| SCHEMBL28291679 | 0.77 | NPC1 (0.48) | L3MBTL1ALDH1A1TP53CYP3A4HPGD | |
| SCHEMBL29965610 | 0.76 | POLB (0.44) | ESR1ESR2ALDH1A1TP53CYP3A4 | |
| SCHEMBL28293228 | 0.76 | POLB (0.44) | ESR1ESR2ALDH1A1TP53CYP3A4 | |
| SCHEMBL29965092 | 0.76 | KMT2A (0.49) | ALDH1A1TP53CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL28963333 | 0.76 | KMT2A (0.49) | ALDH1A1TP53CYP3A4HPGDSMN1; SMN2 |
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-109721580-B | 3-phenyl-7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |
| CN-109721580-A | The plain derivative of 3- phenyl -7,8- dehydrogenation grapevine penta, its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-05-07 | — | — | CN | disclosed |