Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 8/20 | 0.37 |
| ▸ | RORC | P51449 | 5/20 | 0.37 |
| ▸ | TACR1 | P25103 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4639414 | 0.95 | MAPK1 (0.36) | RORBRORCTACR1GRM2CDC7 | |
| SCHEMBL4708167 | 0.94 | RORB (0.36) | RORBRORCTACR1ALDH1A1TSHR | |
| SCHEMBL4638464 | 0.92 | RORB (0.36) | RORBRORCTACR1ALDH1A1TSHR | |
| SCHEMBL4639361 | 0.90 | PTGER4 (0.34) | RORBRORCTACR1ALDH1A1TSHR | |
| SCHEMBL4708221 | 0.90 | RORB (0.37) | RORBRORCTACR1GRM2 | |
| SCHEMBL4708796 | 0.90 | TACR1 (0.38) | RORBRORCTACR1ALDH1A1TSHR | |
| SCHEMBL4639445 | 0.88 | RORB (0.39) | RORBRORCALDH1A1TSHRGRM2 | |
| SCHEMBL4705896 | 0.87 | ALDH1A1 (0.38) | RORBRORCTACR1ALDH1A1TSHR | |
| SCHEMBL4638833 | 0.87 | RORB (0.35) | RORBRORCTACR1GRM2CDC7 | |
| SCHEMBL4707974 | 0.87 | TACR1 (0.38) | RORBRORCTACR1ALDH1A1GRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |