Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL5244353 | 0.93 | — | — | |
| SCHEMBL5244652 | 0.90 | FLT1 (0.34) | FLT1KDR | |
| SCHEMBL5243356 | 0.89 | AR (0.35) | CNR1GRM5FLT1KDR | |
| SCHEMBL5210120 | 0.87 | CNR1 (0.32) | CNR1GRM5FLT1KDR | |
| SCHEMBL5244357 | 0.82 | AR (0.35) | — | |
| SCHEMBL5244657 | 0.78 | FLT1 (0.37) | FLT1KDR | |
| SCHEMBL5239947 | 0.78 | GRM5 (0.32) | GRM5 | |
| SCHEMBL5643535 | 0.77 | AR (0.41) | CNR1 | |
| SCHEMBL5208166 | 0.77 | FLT1 (0.34) | FLT1KDR | |
| SCHEMBL5211288 | 0.76 | FLT1 (0.35) | FLT1KDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | claimed |