Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19803933 | 0.92 | ESR1 (0.45) | ESR1ESR2HSD17B2CYP1A2CYP2C9 | |
| SCHEMBL19803934 | 0.90 | ESR1 (0.42) | ESR1ESR2HSD17B2PTPN22POLB | |
| SCHEMBL19806908 | 0.89 | ESR1 (0.47) | ESR1ESR2HSD17B2CYP1A2CYP2C9 | |
| SCHEMBL19806848 | 0.87 | ESR1 (0.42) | ESR1ESR2HSD17B2CYP1A2CYP2C9 | |
| SCHEMBL23861559 | 0.87 | PTPN22 (0.44) | ESR1ESR2HSD17B2PTPN22POLB | |
| SCHEMBL23861563 | 0.82 | PTPN22 (0.48) | ESR1ESR2HSD17B2PTPN22POLB | |
| SCHEMBL23861443 | 0.81 | ESR1 (0.47) | ESR1ESR2HSD17B2PTPN22POLB | |
| SCHEMBL23082042 | 0.78 | ESR1 (0.48) | ESR1ESR2HSD17B2POLBGAA | |
| SCHEMBL23082053 | 0.77 | ESR1 (0.54) | ESR1ESR2HSD17B2CYP1A2CYP2C9 | |
| SCHEMBL29465780 | 0.75 | ESR1 (0.55) | ESR1ESR2MEN1GAAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018016640-A1 | COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD, AND CIRCUIT PATTERN FORMATION METHOD | 三菱瓦斯化学株式会社 | 2018-01-25 | — | — | WO | disclosed |