Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4454002 | 0.91 | KDM4E (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23512347 | 0.82 | KDM4E (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30830335 | 0.82 | CYP11B1 (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8016866 | 0.82 | CYP11B1 (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL679848 | 0.81 | SMN1; SMN2 (0.55) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17508271 | 0.81 | ALDH1A1 (0.58) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31374896 | 0.81 | ALDH1A1 (0.58) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31374874 | 0.81 | SMN1; SMN2 (0.41) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17493553 | 0.80 | FFAR1 (0.55) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19287149 | 0.79 | ALDH1A1 (0.59) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 |
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 |