Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.69 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.56 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL972002 | 0.92 | KDM4E (0.68) | ABCG2KCNA3KDM4EALDH1A1GAA | |
| SCHEMBL20169801 | 0.91 | ABCG2 (0.59) | ABCG2KCNA3KDM4EALDH1A1KMT2A | |
| SCHEMBL10769734 | 0.91 | ABCG2 (0.72) | ABCG2KCNA3KDM4EALDH1A1GAA | |
| SCHEMBL15231797 | 0.90 | KDM4E (0.62) | ABCG2KCNA3KDM4EALDH1A1GAA | |
| SCHEMBL21647139 | 0.88 | ABCG2 (0.61) | ABCG2KCNA3KDM4EALDH1A1GAA | |
| SCHEMBL29080561 | 0.88 | ABCG2 (0.59) | ABCG2KCNA3KDM4EALDH1A1GAA | |
| SCHEMBL30558216 | 0.88 | ABCG2 (0.59) | ABCG2KCNA3KDM4EALDH1A1GAA | |
| SCHEMBL2395500 | 0.87 | KDM4E (0.67) | ABCG2KCNA3KDM4EALDH1A1KMT2A | |
| SCHEMBL17523228 | 0.87 | ABCG2 (0.58) | ABCG2KCNA3KDM4EALDH1A1KMT2A | |
| SCHEMBL15232368 | 0.87 | ABCG2 (0.74) | ABCG2KCNA3ABCB1ABCC1 |
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-112724114-A | Epicatechin and related polyphenols | 斯法尔制药私人有限公司 | 2021-04-30 | — | — | CN | disclosed |