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 | 3/20 | 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 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4455043 | 0.91 | KDM4E (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4557297 | 0.83 | KDM4E (0.44) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4457614 | 0.81 | HSD17B1 (0.49) | IDH1 | |
| SCHEMBL19287149 | 0.79 | ALDH1A1 (0.59) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL679848 | 0.77 | SMN1; SMN2 (0.55) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL190915 | 0.77 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL19722100 | 0.76 | CASP3 (0.55) | ALOX15MAOBRAB9AMAPT | |
| SCHEMBL22073083 | 0.76 | DYRK1A (0.52) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23512347 | 0.76 | KDM4E (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30830335 | 0.76 | CYP11B1 (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 |