Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10872502 | 0.74 | CYP2C19 (0.32) | CYP2C19 | |
| SCHEMBL21230424 | 0.74 | CYP2C19 (0.42) | CYP2C19 | |
| SCHEMBL18618 | 0.74 | CYP2C19 (0.42) | CYP2C19 | |
| SCHEMBL18665066 | 0.72 | ALDH1A1 (0.33) | CYP2C19 | |
| SCHEMBL16635849 | 0.72 | TSHR (0.33) | CYP2C19 | |
| SCHEMBL15116571 | 0.72 | ALDH1A1 (0.33) | CYP2C19 | |
| SCHEMBL2031585 | 0.71 | — | — | |
| SCHEMBL30199190 | 0.71 | — | — | |
| SCHEMBL23009421 | 0.70 | CYP2C19 (0.34) | CYP2C19 | |
| SCHEMBL2845534 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107074859-B | Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer | 默克专利有限公司 | 2021-08-06 | — | — | CN | disclosed |