Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.30 |
| ▸ | ARG2 | P78540 | 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 | |
|---|---|---|---|---|
| SCHEMBL31087757 | 0.86 | CYP2C19 (0.30) | CYP2C19 | |
| SCHEMBL31087758 | 0.79 | CYP2C19 (0.36) | CYP2C19 | |
| SCHEMBL774037 | 0.75 | ARG1 (0.39) | CYP2C19ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL16993455 | 0.73 | ARG1 (0.38) | ARG1ARG2 | |
| SCHEMBL3934353 | 0.68 | ARG1 (0.34) | CYP2C19ARG1ARG2 | |
| SCHEMBL2900265 | 0.68 | ARG1 (0.39) | ARG1ARG2 | |
| SCHEMBL18076610 | 0.68 | ARG1 (0.35) | ARG1ARG2 | |
| SCHEMBL18076611 | 0.68 | ARG1 (0.35) | ARG1ARG2 | |
| SCHEMBL1234317 | 0.66 | ARG1 (0.33) | ARG1ARG2 | |
| SCHEMBL5494842 | 0.64 | ARG1 (0.33) | ARG1ARG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0869967-A2 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | WO | disclosed |