Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | RPS6KA3 | P51812 | 5/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | VRK1 | Q99986 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8735104 | 0.85 | ESR1 (0.50) | ESR2ESR1RPS6KA3HSD17B1HSD17B2 | |
| SCHEMBL5511740 | 0.84 | CA9 (0.50) | ESR2ESR1RPS6KA3HSD17B1HSD17B2 | |
| SCHEMBL14087817 | 0.83 | NQO1 (0.61) | ESR2ESR1RPS6KA3HSD17B1HSD17B2 | |
| SCHEMBL2868026 | 0.78 | ESR1 (0.50) | ESR2ESR1NQO1TAAR1CA12 | |
| SCHEMBL833139 | 0.78 | ESR1 (0.56) | ESR2ESR1RPS6KA3HSD17B1HSD17B2 | |
| SCHEMBL30332163 | 0.78 | ESR1 (0.44) | ESR2ESR1HSD17B1HSD17B2NQO1 | |
| SCHEMBL8041761 | 0.76 | ESR1 (0.62) | ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL30332317 | 0.76 | ESR1 (0.51) | ESR2ESR1 | |
| SCHEMBL28374796 | 0.75 | ESR1 (0.67) | ESR2ESR1RPS6KA3HSD17B1HSD17B2 | |
| SCHEMBL16982125 | 0.75 | ESR1 (0.67) | ESR2ESR1RPS6KA3HSD17B1HSD17B2 |
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-2015115589-A1 | HALOGEN ATOM-SUBSTITUTED POLYMERIZABLE COMPOUND | 日産化学工業株式会社 | 2015-08-06 | — | — | WO | disclosed |