Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.30 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL5229947 | 0.93 | TRPM8 (0.32) | CYP3A4 | |
| SCHEMBL5234966 | 0.93 | TRPM8 (0.32) | CYP3A4 | |
| SCHEMBL5234567 | 0.89 | NR1H4 (0.35) | — | |
| SCHEMBL5231429 | 0.88 | — | — | |
| SCHEMBL5233366 | 0.88 | — | — | |
| SCHEMBL5233878 | 0.88 | — | — | |
| SCHEMBL5234535 | 0.88 | — | — | |
| SCHEMBL5235062 | 0.87 | TBK1 (0.30) | — | |
| SCHEMBL5233102 | 0.87 | TDP1 (0.34) | — | |
| SCHEMBL5236128 | 0.86 | NPC1 (0.34) | — |
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-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | claimed |