Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 1/20 | 0.36 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.36 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 4/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.35 |
| ▸ | PIM1 | P11309 | 3/20 | 0.35 |
| ▸ | PRKACA | P17612 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | HIPK2 | Q9H2X6 | 3/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707214 | 0.89 | CDC7 (0.39) | SLC16A3SLC16A1MCTS1CNR2GRM2 | |
| SCHEMBL4705832 | 0.88 | GRM2 (0.38) | SLC16A3SLC16A1MCTS1CNR2GRM2 | |
| SCHEMBL4707480 | 0.85 | GRM2 (0.38) | SLC16A3SLC16A1MCTS1CNR2GRM2 | |
| SCHEMBL4707206 | 0.85 | TACR1 (0.37) | SLC16A3SLC16A1MCTS1CNR2GRM2 | |
| SCHEMBL4708151 | 0.85 | SLC16A3 (0.36) | SLC16A3SLC16A1MCTS1PTGER4CNR2 | |
| SCHEMBL4708164 | 0.84 | IDO1 (0.36) | SLC16A3SLC16A1MCTS1CNR2GRM2 | |
| SCHEMBL4707417 | 0.84 | GRM2 (0.37) | SLC16A3SLC16A1MCTS1CNR2GRM2 | |
| SCHEMBL4709645 | 0.83 | CDC7 (0.38) | SLC16A3SLC16A1MCTS1PTGER4GRM2 | |
| SCHEMBL4707454 | 0.83 | CDC7 (0.38) | SLC16A3SLC16A1MCTS1GRM2CDC7 | |
| SCHEMBL4706125 | 0.82 | CYP19A1 (0.42) | SLC16A3SLC16A1MCTS1HSP90AA1ALDH1A1 |
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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |