Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4708192 | 0.94 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4707185 | 0.88 | CDC7 (0.37) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4707796 | 0.85 | CDC7 (0.39) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4707135 | 0.83 | IDO1 (0.39) | ALDH1A1GRM2CDC7MAP4K4PIM1 | |
| SCHEMBL4705321 | 0.82 | TACR1 (0.35) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4706657 | 0.81 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1HPGDTACR1MAPT | |
| SCHEMBL4707454 | 0.80 | CDC7 (0.38) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4708132 | 0.78 | GRM2 (0.36) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4758977 | 0.78 | GABRA2 (0.37) | SMN1; SMN2ALDH1A1HPGDGRM2CDC7 | |
| SCHEMBL4705897 | 0.75 | PTAFR (0.40) | ALDH1A1CDC7MAP4K4PIM1PRKACA |
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 |