Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL8280667 | 0.83 | F2 (0.38) | ALDH1A1NPSR1DPP4 | |
| SCHEMBL12605984 | 0.71 | KMT2A (0.39) | — | |
| SCHEMBL16329140 | 0.71 | KMT2A (0.39) | — | |
| SCHEMBL13092761 | 0.71 | KMT2A (0.40) | ALDH1A1NPSR1 | |
| SCHEMBL8257927 | 0.70 | F2 (0.39) | ALDH1A1NPSR1DPP4 | |
| SCHEMBL8240043 | 0.68 | F2 (0.39) | ALDH1A1NPSR1DPP4 | |
| SCHEMBL8253163 | 0.67 | F2 (0.33) | — | |
| SCHEMBL8247775 | 0.67 | ABCG2 (0.37) | — | |
| SCHEMBL8246486 | 0.66 | — | — | |
| SCHEMBL8250187 | 0.66 | BIRC2 (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-1730110-B9 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2011-11-02 | — | — | EP | disclosed |