Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.45 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.44 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557296 | 0.91 | SYK (0.53) | SRD5A2HSD17B1SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL2997363 | 0.88 | SRD5A2 (0.63) | SRD5A2SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL2997357 | 0.82 | SMN1; SMN2 (0.56) | SRD5A2SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL4085836 | 0.81 | HSD17B1 (0.64) | HSD17B1SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL6239769 | 0.81 | KMT2A (0.60) | SMN1; SMN2CYP1A2KDM4ECYP2D6CYP2C9 | |
| SCHEMBL23512359 | 0.81 | KDM4E (0.49) | SRD5A2SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL8226759 | 0.81 | MAOB (0.49) | SRD5A2SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL21004635 | 0.80 | BACE1 (0.44) | SRD5A2SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL10922062 | 0.80 | CYP2C19 (0.55) | HSD17B1SMN1; SMN2CYP1A2KDM4ECYP2D6 | |
| SCHEMBL4961133 | 0.79 | PTPN1 (0.50) | SMN1; SMN2CYP1A2KDM4ECYP2D6CYP2C9 |
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 |