Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL12295340 | 0.77 | GRM5 (0.37) | GRM5CYP1A2CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL20409161 | 0.74 | — | — | |
| SCHEMBL935756 | 0.73 | GRM5 (0.34) | GRM5 | |
| SCHEMBL14129568 | 0.71 | GRM5 (0.69) | GRM5CYP2A6 | |
| SCHEMBL17705931 | 0.71 | GRM5 (0.62) | GRM5CYP1A2CYP2C19 | |
| SCHEMBL20437877 | 0.71 | EGLN1 (0.38) | GRM5 | |
| SCHEMBL1421235 | 0.69 | — | — | |
| SCHEMBL934894 | 0.69 | — | — | |
| SCHEMBL19775310 | 0.67 | MTOR (0.44) | — | |
| SCHEMBL14129684 | 0.66 | GRM5 (0.46) | GRM5 |
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-2018136202-A2 | COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2018-07-26 | — | — | WO | disclosed |