Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18972851 | 0.87 | ESR1 (0.65) | ESR1ESR2CYP19A1 | |
| SCHEMBL15626973 | 0.82 | ALDH1A1 (0.41) | GABRA1GABRB1GABRG2GABRB3GABRB2 | |
| SCHEMBL26859454 | 0.80 | RECQL (0.42) | CA2GABRA1GABRB1GABRG2GABRB3 | |
| SCHEMBL10154445 | 0.80 | CYP19A1 (0.56) | ESR1ESR2CYP19A1CA3CA6 | |
| SCHEMBL28354801 | 0.80 | APP (0.42) | CA2GABRA1GABRB1GABRG2GABRB3 | |
| SCHEMBL4657618 | 0.80 | GABRA1 (0.56) | CA2GABRA1GABRB1GABRG2GABRB3 | |
| SCHEMBL178769 | 0.79 | ALDH1A1 (0.48) | ESR1GABRA1GABRB1GABRG2GABRB3 | |
| Dimethylstilbestrol SCHEMBL125635 | 0.77 | ESR1 (0.74) | ESR1ESR2CYP19A1CA12CA2 | |
| Dimethylstilbestrol SCHEMBL13339102 | 0.77 | ESR1 (0.74) | ESR1ESR2CYP19A1CA12CA2 | |
| Dimethylstilbestrol SCHEMBL125634 | 0.77 | ESR1 (0.74) | ESR1ESR2CYP19A1CA12CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1764363-A2 | SUBSTITUTED ACETOPHENONEDERIVATIVES | Riemser Arzneimittel AG (DE) | 2007-03-21 | — | — | EP | claimed |
| EP-1764363-A2 | SUBSTITUTED ACETOPHENONEDERIVATIVES | Riemser Arzneimittel AG (DE) | 2007-03-21 | — | — | EP | disclosed |
| US-4783280-A | Liquid crystal mixture | HOFFMANN-LA ROCHE INC. (US) | 1988-11-08 | — | — | US | disclosed |
| US-4460770-A | Liquid crystal mixture | HOFFMANN-LA ROCHE INC. (US) | 1984-07-17 | — | — | US | disclosed |