Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.70 |
| ▸ | NPC1 | O15118 | 3/20 | 0.70 |
| ▸ | RAB9A | P51151 | 3/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.69 |
| ▸ | TP53 | P04637 | 3/20 | 0.69 |
| ▸ | THRB | P10828 | 1/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.62 |
| ▸ | RELA | Q04206 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL16334818 | 0.88 | KDM4E (0.75) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL16335756 | 0.88 | CYP3A4 (0.75) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL16389392 | 0.85 | CYP3A4 (0.75) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL28788159 | 0.85 | KDM4E (0.83) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| Biochanin A, Dimethyl Ether SCHEMBL5795557 | 0.83 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| 5,7-Dimethoxyisoflavone SCHEMBL1675985 | 0.82 | ALDH1A1 (1.00) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL571702 | 0.81 | RAB9A (0.68) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL30288208 | 0.81 | CYP3A4 (0.81) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL7056427 | 0.77 | CYP3A4 (0.76) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL3385694 | 0.77 | ALDH1A1 (0.68) | CYP3A4KDM4EALDH1A1HSD17B10NPC1 |
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-101538260-B | Isoflavone compound and prepration method and application thereof | YUNNAN TOBACCO SCI RES INST | 2011-07-20 | — | — | CN | disclosed |
| CN-101538260-A | Isoflavone compound and prepration method and application thereof | YUNAN ACADEMY OF TOBACCO SCIEN | 2009-09-23 | — | — | CN | disclosed |