Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.36 |
| ▸ | CYP24A1 | Q07973 | 4/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL10464807 | 0.84 | CYP17A1 (0.51) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL9687706 | 0.81 | CYP17A1 (0.53) | CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL9688917 | 0.81 | CYP17A1 (0.54) | CYP17A1CYP19A1CYP24A1 | |
| SCHEMBL9689763 | 0.77 | CYP17A1 (0.48) | CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4 | |
| Oxalic Acid SCHEMBL9687827 | 0.74 | CYP17A1 (0.52) | CYP17A1CYP19A1CYP24A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL28085231 | 0.69 | CYP17A1 (0.43) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL9687994 | 0.68 | AGER (0.44) | CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL10465768 | 0.68 | KDM4E (0.41) | CYP17A1CYP19A1CYP3A4HRH1 | |
| Hydrochloric Acid SCHEMBL10573266 | 0.68 | KDM4E (0.41) | CYP17A1CYP19A1CYP3A4HRH1 | |
| Citric Acid SCHEMBL9688655 | 0.66 | CYP17A1 (0.41) | CYP17A1CYP24A1CYP11B1CYP11B2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0298921-B1 | 1,2-BENZISOXAZOLES AND 1,2-BENZISOTHIAZOLES | CIBA-GEIGY AG (CH) | 1992-12-23 | — | — | EP | disclosed |
| US-4957931-A | ANTICONVULSANTS, TREATMENT OF EPILEPSY | CIBA-GEIGY CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| US-4859691-A | Certain 1,2-benzisoxazole derivatives | CIBA-GEIGY CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| EP-0298921-A1 | 1,2-Benzisoxazoles and 1,2-benzisothiazoles | CIBA-GEIGY AG (CH) | 1989-01-11 | — | — | EP | disclosed |