Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28963333 | 1.00 | KMT2A (0.49) | KMT2AALDH1A1MEN1HSP90AA1HPGD | |
| SCHEMBL28937086 | 0.82 | HSD17B2 (0.47) | KMT2AALDH1A1MEN1HPGDGAA | |
| SCHEMBL30081090 | 0.79 | XDH (0.45) | KMT2AALDH1A1MEN1HSP90AA1HPGD | |
| SCHEMBL28957475 | 0.79 | XDH (0.45) | KMT2AALDH1A1MEN1HSP90AA1HPGD | |
| SCHEMBL28291679 | 0.77 | NPC1 (0.48) | KMT2AALDH1A1MEN1HSP90AA1HPGD | |
| SCHEMBL28293234 | 0.76 | ESR1 (0.45) | KMT2AALDH1A1MEN1HPGDMAPT | |
| SCHEMBL29965991 | 0.76 | ESR1 (0.45) | KMT2AALDH1A1MEN1HPGDMAPT | |
| SCHEMBL29965404 | 0.75 | MAPT (0.49) | KMT2AALDH1A1MEN1HPGDGAA | |
| SCHEMBL28293226 | 0.75 | MAPT (0.49) | KMT2AALDH1A1MEN1HPGDGAA | |
| SCHEMBL29964942 | 0.71 | SIRT1 (0.46) | KMT2AALDH1A1MEN1HPGDGAA |
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 |