Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24021272 | 0.86 | ALDH1A1 (0.49) | GABRA1GABRB2ALOX5CNR2PKM | |
| SCHEMBL12325012 | 0.84 | HSD17B1 (0.59) | HSD17B1GABRA1GABRB2ALOX5CNR2 | |
| SCHEMBL4453829 | 0.83 | ABCB1 (0.47) | PPARGPPARDPPARA | |
| SCHEMBL4465271 | 0.81 | HSD17B10 (0.42) | ALDH1A1PPARGPPARDPPARAKDM4E | |
| SCHEMBL4085538 | 0.81 | HSD17B1 (0.43) | HSD17B1GABRA1GABRB2ALOX5CNR2 | |
| SCHEMBL4773229 | 0.76 | ALDH1A1 (0.49) | ALOX5ALDH1A1PPARGPPARDPPARA | |
| SCHEMBL18780832 | 0.75 | GABRA1 (0.60) | HSD17B1GABRA1GABRB2ALOX5CNR2 | |
| SCHEMBL11950523 | 0.75 | CA2 (0.48) | HSD17B1PKMALOX15 | |
| SCHEMBL4457722 | 0.74 | ABL1 (0.41) | PKMERN1ALDH1A1KDM4EMAPT | |
| SCHEMBL4086023 | 0.74 | HSD17B1 (0.64) | HSD17B1ALDH1A1HPGD |
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 |