Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.47 |
| ▸ | ESR1 | P03372 | 8/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10458145 | 0.82 | ESR2 (0.53) | HSD17B1ESR2ESR1HCAR2RARB | |
| SCHEMBL4454002 | 0.81 | KDM4E (0.45) | IDH1 | |
| SCHEMBL4935609 | 0.79 | DGAT1 (0.57) | HSD17B1ESR2HCAR2RARBHSD17B10 | |
| SCHEMBL21811720 | 0.78 | CNR1 (0.50) | HSD17B1ESR2ESR1HCAR2RARB | |
| SCHEMBL4894861 | 0.76 | ALDH5A1 (0.52) | HSD17B1ESR2ESR1HSD17B10 | |
| SCHEMBL439874 | 0.76 | ESR2 (0.76) | HSD17B1ESR2ESR1HSD17B10FGFR1 | |
| SCHEMBL29738442 | 0.76 | ESR2 (0.76) | HSD17B1ESR2ESR1HSD17B10FGFR1 | |
| SCHEMBL1678974 | 0.75 | MMP3 (0.55) | HSD17B1ESR2ESR1HCAR2 | |
| SCHEMBL16744054 | 0.75 | ESR2 (0.54) | HSD17B1ESR2ESR1HCAR2FGFR1 | |
| SCHEMBL2431475 | 0.74 | ESR1 (0.63) | ESR2ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013176-A2 | DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER | Sterix Limited (GB) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007096647-A2 | DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER | STERIX LIMITED (GB) | 2007-08-30 | — | — | WO | disclosed |