Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28963323 | 1.00 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29965408 | 0.87 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28937082 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29965605 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28963324 | 0.84 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29965200 | 0.84 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28937113 | 0.80 | MTNR1A (0.42) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28937084 | 0.79 | EGFR (0.45) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL29965151 | 0.79 | EGFR (0.45) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28406076 | 0.78 | KMT2A (0.50) | SMN1; SMN2CYP3A4KDM4EALDH1A1HSD17B10 |
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-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 |