Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4085503 | 0.87 | ABCB1 (0.54) | ABCB1ABCG2PDE4APDE4BPDE4C | |
| SCHEMBL4457870 | 0.83 | HSD17B1 (0.48) | PPARGPPARDPPARA | |
| SCHEMBL4096434 | 0.80 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13144543 | 0.77 | NPSR1 (0.59) | ABCB1 | |
| SCHEMBL10627409 | 0.75 | HTR1A (0.43) | ABCB1ABCG2PDE4APDE4BPDE4C | |
| SCHEMBL22265145 | 0.73 | MAOB (0.52) | — | |
| SCHEMBL31555136 | 0.72 | ABCB1 (0.58) | ABCB1ABCG2 | |
| SCHEMBL34463070 | 0.72 | TAAR1 (0.61) | — | |
| SCHEMBL28131611 | 0.72 | ALOX5 (0.54) | ABCB1ABCG2 | |
| Phenylacetaldehyde SCHEMBL14690605 | 0.72 | MAOB (0.55) | — |
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 |