Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1902402 | 0.90 | ESR1 (0.43) | ESR1ESR2TAAR1CA12CA1 | |
| SCHEMBL2868026 | 0.84 | ESR1 (0.50) | ESR1ESR2TAAR1CA12CA1 | |
| SCHEMBL25419103 | 0.79 | TAAR1 (0.34) | ESR1ESR2TAAR1CA12CA1 | |
| SCHEMBL5949079 | 0.79 | TAAR1 (0.34) | ESR1ESR2TAAR1CA12CA1 | |
| SCHEMBL12459470 | 0.79 | CA1 (0.37) | CA12CA1 | |
| SCHEMBL2026396 | 0.78 | — | — | |
| SCHEMBL25422240 | 0.76 | IDO1 (0.34) | ESR1ESR2TAAR1CA12CA1 | |
| SCHEMBL16982139 | 0.75 | ESR1 (0.37) | ESR1ESR2TAAR1CA12CA1 | |
| Water SCHEMBL973329 | 0.74 | — | — | |
| SCHEMBL395013 | 0.74 | — | — |
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 |