Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.46 |
| ▸ | BCL9 | O00512 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL1248240 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL31517127 | 0.83 | ALDH1A1 (0.53) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL571691 | 0.82 | ABCB1 (0.46) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL1764663 | 0.79 | ABCG2 (0.66) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL4287360 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MAPTABCG2ABCB1 | |
| SCHEMBL28020525 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL6724444 | 0.77 | CYP3A4 (0.51) | ALDH1A1CYP3A4KDM4EMAPTABCG2 | |
| SCHEMBL5137806 | 0.75 | MAPT (0.87) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL896579 | 0.73 | MAOA (0.57) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL27934311 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP3A4KDM4EMAPTABCG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101643465-A | Preparation method of COMT inhibitor 5, 6, 7, 3', 4'-pentamethoxyl isoflavone | UNIV DONGHUA | 2010-02-10 | — | — | CN | claimed |
| CN-107596247-B | Mongolian medicine for treating lung disease and its preparing process | 内蒙古民族大学附属医院 | 2020-12-22 | — | — | CN | disclosed |
| CN-101643465-A | Preparation method of COMT inhibitor 5, 6, 7, 3', 4'-pentamethoxyl isoflavone | UNIV DONGHUA | 2010-02-10 | — | — | CN | disclosed |