Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | TYR | P14679 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2284641 | 0.85 | ESR1 (0.48) | BCHETYRACHECYP17A1ALOX15 | |
| SCHEMBL29508269 | 0.83 | ADRB2 (0.51) | BCHETYRACHECYP17A1PKM | |
| SCHEMBL1986274 | 0.81 | ALOX5 (0.46) | BCHETYRACHECYP17A1ALOX15 | |
| SCHEMBL27983969 | 0.81 | ALDH1A1 (0.52) | TYRALOX15ALDH1A1USP2HPGD | |
| SCHEMBL29664138 | 0.80 | GABRA1 (0.58) | BCHETYRACHECYP17A1ALOX15 | |
| SCHEMBL6246037 | 0.79 | TYR (0.47) | BCHETYRACHECYP17A1ALOX15 | |
| SCHEMBL3292528 | 0.79 | ESR1 (0.46) | BCHETYRACHECYP17A1ALOX15 | |
| SCHEMBL3934205 | 0.78 | TDP1 (0.56) | BCHETYRACHEALOX15ALDH1A1 | |
| SCHEMBL1960997 | 0.77 | GABRA1 (0.56) | BCHETYRACHECYP17A1ALDH1A1 | |
| SCHEMBL30002831 | 0.77 | GABRA1 (0.56) | BCHETYRACHECYP17A1ALDH1A1 |
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-109715728-A | Adduct and application thereof | 亨斯迈先进材料美国有限责任公司 | 2019-05-03 | — | — | CN | disclosed |