Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 3/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 2/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.37 |
| ▸ | RARG | P13631 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL12325012 | 0.78 | HSD17B1 (0.59) | HSD17B1ALDH1A1HTTALOX5GABRA1 | |
| SCHEMBL4086023 | 0.78 | HSD17B1 (0.64) | HSD17B1SRD5A2MEN1ALDH1A1KMT2A | |
| SCHEMBL4095528 | 0.74 | ALDH1A1 (0.43) | HSD17B1DHFRSRD5A2MEN1ALDH1A1 | |
| SCHEMBL4085535 | 0.72 | ABCG2 (0.47) | HSD17B1SRD5A2MEN1KMT2A | |
| SCHEMBL4085995 | 0.72 | SMN1; SMN2 (0.54) | DHFRSRD5A2MEN1ALDH1A1KMT2A | |
| SCHEMBL21889104 | 0.72 | CYP1A2 (0.51) | MEN1ALDH1A1KMT2AHTTTSHR | |
| SCHEMBL4098160 | 0.70 | SRD5A2 (0.44) | HSD17B1DHFRSRD5A2RARARARB | |
| SCHEMBL4457870 | 0.69 | HSD17B1 (0.48) | HSD17B1ALDH1A1ALOX5GABRA1GABRB2 | |
| SCHEMBL11575413 | 0.69 | CYP1A2 (0.66) | MEN1ALDH1A1KMT2AHTTTSHR | |
| SCHEMBL16955936 | 0.69 | ALDH1A1 (0.54) | MEN1ALDH1A1KMT2ATSHR |
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 |