Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 7/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11601811 | 0.85 | CYP17A1 (0.41) | CYP17A1CYP19A1KDM4E | |
| SCHEMBL28270201 | 0.82 | CYP17A1 (0.39) | CYP17A1CYP19A1 | |
| SCHEMBL27727132 | 0.82 | CYP17A1 (0.43) | CYP17A1CYP19A1 | |
| SCHEMBL27657529 | 0.81 | CYP17A1 (0.38) | CYP17A1CYP19A1KDM4E | |
| Bromide SCHEMBL28532863 | 0.81 | CYP17A1 (0.38) | CYP17A1CYP19A1 | |
| Water SCHEMBL28525525 | 0.81 | CYP17A1 (0.38) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28122988 | 0.81 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Water SCHEMBL28070577 | 0.81 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| SCHEMBL2535392 | 0.79 | CYP17A1 (0.37) | CYP17A1CYP19A1 | |
| SCHEMBL2364797 | 0.79 | CYP17A1 (0.46) | 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-107709320-A | A kind of pyrido nitrogen heterocyclic and its production and use | 中国科学院上海药物研究所 | 2018-02-16 | — | — | CN | disclosed |
| CN-106279147-A | A kind of pyrido nitrogen heterocyclic and its production and use | 中国科学院上海药物研究所 | 2017-01-04 | — | — | CN | disclosed |