Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 19/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9687706 | 0.90 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL9688917 | 0.85 | CYP17A1 (0.54) | CYP17A1 | |
| SCHEMBL9688727 | 0.84 | CYP17A1 (0.40) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL9689763 | 0.82 | CYP17A1 (0.48) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| Oxalic Acid SCHEMBL9687827 | 0.82 | CYP17A1 (0.52) | CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL9688874 | 0.76 | CYP26A1 (0.40) | CYP3A4 | |
| Maleic Acid SCHEMBL9688630 | 0.75 | CYP17A1 (0.42) | CYP17A1CYP3A4 | |
| Fumaric Acid SCHEMBL10464858 | 0.75 | CYP17A1 (0.42) | CYP17A1CYP3A4 | |
| SCHEMBL9687994 | 0.74 | AGER (0.44) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL10466641 | 0.74 | CYP17A1 (0.51) | CYP17A1CYP11B1CYP11B2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |