Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705290 | 0.94 | GRM2 (0.37) | GRM2ALDH1A1GAATACR1POLB | |
| SCHEMBL4707090 | 0.88 | TACR1 (0.37) | GRM2ALDH1A1GAATACR1POLB | |
| SCHEMBL4639416 | 0.81 | GRM2 (0.39) | GRM2ALDH1A1GAAPOLBHTT | |
| SCHEMBL4638051 | 0.80 | ALDH1A1 (0.39) | GRM2ALDH1A1GAATACR1HTT | |
| SCHEMBL4638520 | 0.79 | ALDH1A1 (0.44) | GRM2ALDH1A1GAATACR1POLB | |
| SCHEMBL4637798 | 0.77 | ALDH1A1 (0.39) | GRM2ALDH1A1GAATACR1POLB | |
| SCHEMBL4637822 | 0.77 | ALDH1A1 (0.43) | ALDH1A1GAATACR1POLBPTGER4 | |
| SCHEMBL4638558 | 0.76 | ALDH1A1 (0.42) | ALDH1A1GAATACR1POLBPTGER4 | |
| SCHEMBL4705713 | 0.76 | CDC7 (0.39) | GRM2ALDH1A1GAATACR1PTGER4 | |
| SCHEMBL14303078 | 0.76 | GRM2 (0.36) | GRM2ALDH1A1GAATACR1POLB |
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 |