Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 2/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL105690 | 0.83 | ESR1 (0.52) | ESR1ESR2FNTAFNTBCA2 | |
| SCHEMBL5320296 | 0.81 | CYP1A2 (0.36) | CA2CA1IDO1ALDH1A1CYP2C19 | |
| SCHEMBL18338 | 0.78 | CA1 (0.50) | ESR1ESR2CA2CA1KDM4E | |
| SCHEMBL11022392 | 0.76 | ALOX15 (0.47) | ESR1ESR2CA2CA1KDM4E | |
| Succinic Acid SCHEMBL729634 | 0.74 | CA2 (0.56) | ESR1ESR2FNTAFNTBCA2 | |
| Isobutyraldehyde SCHEMBL3923146 | 0.72 | TAAR1 (0.45) | ESR1ESR2CA2CAMK2AABAT | |
| SCHEMBL4383010 | 0.72 | ESR1 (0.58) | ESR1ESR2KMT2AMEN1 | |
| SCHEMBL28145577 | 0.72 | ESR1 (0.58) | ESR1ESR2CA2CA1KDM4E | |
| SCHEMBL88854 | 0.71 | ALDH1A1 (0.47) | KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL6364651 | 0.71 | MAOB (0.40) | ALDH1A1KMT2AMEN1BLMTDP1 |
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 |