Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28035688 | 0.81 | NPC1 (0.42) | GAAMEN1KMT2ALMNAMAPT | |
| SCHEMBL1420029 | 0.77 | ESR2 (0.59) | GAAMEN1KMT2AMAPTTP53 | |
| SCHEMBL7042665 | 0.75 | NPC1 (0.45) | GAAMEN1KMT2AMAPTESR1 | |
| SCHEMBL28272639 | 0.74 | AMY1A (0.40) | LMNAHTTESR1ESR2SMN1; SMN2 | |
| SCHEMBL1293107 | 0.73 | PTPN1 (0.47) | GAAMEN1KMT2ALMNAMAPT | |
| SCHEMBL16318731 | 0.73 | TNIK (0.38) | MEN1KMT2AMAPTESR1NPC1 | |
| SCHEMBL1847771 | 0.73 | GAA (0.65) | GAAMEN1KMT2AMAPTTP53 | |
| SCHEMBL5025082 | 0.72 | NPC1 (0.46) | GAAMEN1KMT2ALMNAMAPT | |
| SCHEMBL16400853 | 0.72 | CYP1A2 (0.41) | MEN1KMT2AMAPTNPC1ALDH1A1 | |
| SCHEMBL340086 | 0.71 | NPC1 (0.60) | GAAMEN1KMT2ALMNAMAPT |
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-108264506-B | Isoflavone derivative, preparation method and medical application thereof | 中国药科大学 | 2021-01-26 | — | — | CN | disclosed |