Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCNC | P24863 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31517127 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4PKMGABRPGABRD | |
| SCHEMBL1248240 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP3A4PKMGABRPGABRD | |
| SCHEMBL27770682 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4PKMGABRPGABRD | |
| SCHEMBL1249227 | 0.74 | SI (0.53) | ALDH1A1CYP3A4PKMGABRPGABRD | |
| SCHEMBL30527883 | 0.71 | MEN1 (0.67) | ALDH1A1CYP3A4GABRPGABRDGABRA1 | |
| SCHEMBL27728663 | 0.71 | ABCB1 (0.57) | ALDH1A1CYP3A4PTGS2ABCB1SLCO2B1 | |
| SCHEMBL27454803 | 0.69 | CREB1 (0.55) | ALDH1A1CYP3A4PKMGABRPGABRD | |
| SCHEMBL4287360 | 0.69 | ALDH1A1 (0.55) | ALDH1A1CYP3A4ABCB1MAPTMEN1 | |
| SCHEMBL6724444 | 0.68 | CYP3A4 (0.51) | ALDH1A1CYP3A4ABCB1KDM4EMAPT | |
| SCHEMBL11244826 | 0.68 | MEN1 (0.52) | ALDH1A1CYP3A4ABCB1ACHEKDM4E |
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-104761526-B | A kind of isoflavonoid with antiviral activity and its preparation method and application | 云南中烟工业有限责任公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-104761526-A | Isoflavone compound with anti-virus activity as well as preparation method and application thereof | CHINA TOBACCO YUNNAN IND CO LTD | 2015-07-08 | — | — | CN | disclosed |