Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.49 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29482680 | 0.82 | CA1 (0.71) | MAOBCYP19A1CA1CA2ALDH1A1 | |
| SCHEMBL28448007 | 0.82 | MAPT (0.49) | ADORA3ABCB1ABCG2MAOBCYP19A1 | |
| SCHEMBL1741688 | 0.80 | ABCB1 (0.58) | ADORA3SLC22A2SLC22A1ABCB1ABCG2 | |
| SCHEMBL5623038 | 0.75 | CYP3A4 (0.76) | ABCB1MAOBCYP19A1EGFRALDH1A1 | |
| SCHEMBL28104365 | 0.74 | MAOB (0.64) | ABCB1ABCG2MAOBCYP19A1ALDH1A1 | |
| SCHEMBL28472461 | 0.73 | BCL9 (0.42) | ADORA3SLC22A2SLC22A1ABCB1ABCG2 | |
| SCHEMBL1742348 | 0.70 | ALDH1A1 (0.59) | ADORA3SLC22A2SLC22A1ABCB1ABCG2 | |
| SCHEMBL15197737 | 0.69 | CA2 (0.43) | ADORA3SLC22A2SLC22A1ABCB1ABCG2 | |
| SCHEMBL7499875 | 0.68 | MAOB (0.56) | ABCG2MAOBCA1CA2ALDH1A1 | |
| SCHEMBL10844436 | 0.67 | PTGS2 (0.57) | CA1CA2EGFRMEN1KMT2A |
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-111574490-A | Synthesis method of polyhydroxy isoflavone | 中国人民解放军联勤保障部队第九〇四医院 | 2020-08-25 | — | — | CN | claimed |
| CN-111574490-A | Synthesis method of polyhydroxy isoflavone | 中国人民解放军联勤保障部队第九〇四医院 | 2020-08-25 | — | — | CN | disclosed |