Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL29965092 | 0.82 | KMT2A (0.49) | HSD17B2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL28963333 | 0.82 | KMT2A (0.49) | HSD17B2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL28873068 | 0.80 | HSD17B2 (0.50) | HSD17B2KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL30081086 | 0.80 | HSD17B2 (0.50) | HSD17B2KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL28937083 | 0.80 | NPC1 (0.52) | KMT2AMEN1ALDH1A1HPGDKDM4E | |
| SCHEMBL29965504 | 0.79 | SMN1; SMN2 (0.44) | KMT2AMEN1ALDH1A1HPGDGAA | |
| SCHEMBL28937085 | 0.79 | SMN1; SMN2 (0.44) | KMT2AMEN1ALDH1A1HPGDGAA | |
| SCHEMBL28963323 | 0.78 | SMN1; SMN2 (0.50) | HSD17B2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL29965155 | 0.78 | SMN1; SMN2 (0.50) | HSD17B2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL29965408 | 0.75 | SMN1; SMN2 (0.46) | HSD17B2KMT2AMEN1ALDH1A1HPGD |
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 |