Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 14/20 | 0.63 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9910964 | 0.82 | CYP17A1 (0.84) | CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL28553199 | 0.80 | CYP17A1 (0.64) | CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL8973924 | 0.79 | CYP17A1 (0.75) | CYP17A1CYP19A1 | |
| SCHEMBL8973344 | 0.77 | CYP17A1 (0.71) | CYP17A1CYP19A1 | |
| SCHEMBL5289562 | 0.73 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL28006773 | 0.73 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL26606117 | 0.73 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL28006442 | 0.73 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL4240437 | 0.73 | CYP17A1 (0.51) | CYP17A1CYP19A1 | |
| SCHEMBL27983187 | 0.73 | CYP17A1 (0.51) | CYP17A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101955494-A | Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics | UNIV AKRON | 2011-01-26 | — | — | CN | disclosed |
| CN-1926141-A | Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics | UNIV AKRON (US) | 2007-03-07 | — | — | CN | disclosed |