Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 20/20 | 0.72 |
| ▸ | CYP11B2 | P19099 | 20/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14780324 | 0.89 | CYP11B1 (0.72) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| Hydrochloric Acid SCHEMBL14780389 | 0.88 | CYP11B1 (0.71) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL21518640 | 0.87 | CYP11B1 (0.69) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL1119367 | 0.84 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL31260008 | 0.84 | CYP11B1 (0.64) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL14789943 | 0.84 | CYP11B1 (0.64) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL21535319 | 0.83 | CYP11B1 (0.63) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL21535321 | 0.83 | CYP11B1 (0.63) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL14789902 | 0.83 | CYP11B1 (0.63) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 | |
| SCHEMBL14780320 | 0.83 | CYP11B1 (0.69) | CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013037779-A1 | NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-21 | — | — | WO | disclosed |