Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.90 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.69 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.62 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16730860 | 1.00 | CYP17A1 (0.90) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL570590 | 0.83 | CYP17A1 (0.67) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL14815347 | 0.83 | CYP11B1 (0.76) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL9664044 | 0.82 | CYP17A1 (0.66) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL16578981 | 0.82 | CYP19A1 (0.69) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL23234111 | 0.81 | CYP17A1 (0.81) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL4043257 | 0.81 | CYP17A1 (0.81) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL10642922 | 0.81 | CYP19A1 (1.00) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL27784193 | 0.81 | CYP17A1 (0.81) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 | |
| SCHEMBL14833233 | 0.81 | CYP17A1 (0.74) | CYP17A1CYP19A1CYP26A1CYP11B1CYP11B2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |