Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 3/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL190915 | 0.94 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL19287149 | 0.88 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL933579 | 0.82 | APP (0.62) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL6539948 | 0.81 | PKM (0.68) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL14237960 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL5324129 | 0.81 | LTA4H (0.57) | TSHRLTA4HCA1CA2CA9 | |
| SCHEMBL26344820 | 0.80 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL14113055 | 0.80 | THRB (0.50) | ALDH1A1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6243400 | 0.79 | APP (0.47) | CYP3A4LTA4HIDO1 | |
| SCHEMBL14782754 | 0.79 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2CYP3A4TSHRPARP10 |
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 |