Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 12/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29544984 | 0.89 | CYP17A1 (0.42) | CYP17A1TRPV6KDM4C | |
| SCHEMBL12970534 | 0.89 | CYP17A1 (0.42) | CYP17A1TRPV6KDM4C | |
| Cyanide SCHEMBL28228143 | 0.84 | CYP17A1 (0.40) | CYP17A1TRPV6KDM4C | |
| SCHEMBL31358181 | 0.82 | CYP17A1 (0.40) | CYP17A1TRPV6 | |
| SCHEMBL15528775 | 0.73 | CHRNB2 (0.44) | — | |
| Formic Acid SCHEMBL28827944 | 0.71 | GAA (0.52) | KDM4CROCK2ROCK1 | |
| Formic Acid SCHEMBL27872963 | 0.71 | SIRT3 (0.40) | CYP17A1ROCK2ROCK1 | |
| Formic Acid SCHEMBL28228136 | 0.69 | CNR2 (0.48) | — | |
| SCHEMBL21056778 | 0.68 | KDM4C (0.52) | KDM4C | |
| Formic Acid SCHEMBL27888256 | 0.68 | CYP11B2 (0.65) | — |
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-105121436-B | New pyridine derivate | 豪夫迈·罗氏有限公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105121436-A | Novel pyridine derivatives | HOFFMANN LA ROCHE | 2015-12-02 | — | — | CN | disclosed |