Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 9/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27686289 | 0.92 | LMNA (0.33) | GRM2LMNARXFP1CYP3A4NPC1 | |
| SCHEMBL6061367 | 0.90 | GRM2 (0.35) | GRM2LMNARXFP1KCNH2CYP3A4 | |
| SCHEMBL27667069 | 0.87 | FEN1 (0.34) | GRM2SCN9A | |
| SCHEMBL27667167 | 0.86 | TRPC5 (0.37) | GRM2SCN9AKCNH2 | |
| SCHEMBL27686095 | 0.84 | GRIN2B (0.40) | — | |
| SCHEMBL27686146 | 0.84 | CNR2 (0.33) | GRM2SCN9A | |
| SCHEMBL27686312 | 0.83 | GRIN1 (0.37) | GRM2LMNA | |
| SCHEMBL27667205 | 0.83 | GRM2 (0.39) | TRPV1GRM2SCN9AKCNH2 | |
| SCHEMBL27686092 | 0.83 | GRM2 (0.39) | TRPV1GRM2SCN9AKCNH2CYP3A4 | |
| SCHEMBL27686081 | 0.82 | LMNA (0.35) | GRM2LMNARXFP1KCNH2ROCK2 |
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-1976915-A | HIV integrase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-06-06 | — | — | CN | disclosed |