Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | F2R | P25116 | 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 | |
|---|---|---|---|---|
| SCHEMBL8812832 | 0.85 | SIGMAR1 (0.38) | ITGB3ITGA2BSLC6A1SLC6A11SLC6A13 | |
| SCHEMBL6299872 | 0.84 | CHRM5 (0.37) | ITGB3ITGA2BSLC6A1SLC6A11SLC6A13 | |
| SCHEMBL28798018 | 0.82 | HRH3 (0.37) | ITGB3ITGA2BSMN1; SMN2CYP1A2MAPK1 | |
| SCHEMBL9559920 | 0.81 | HTR2C (0.34) | CHRM5CHRM3SIGMAR1HTR2C | |
| SCHEMBL500612 | 0.80 | LTA4H (0.43) | SMN1; SMN2CYP1A2MAPK1LTA4HALDH1A1 | |
| SCHEMBL6187054 | 0.78 | CHRM5 (0.37) | CHRM5CHRM3SIGMAR1HTR2CTSHR | |
| SCHEMBL5507957 | 0.76 | HRH3 (0.37) | ITGB3ITGA2BSLC6A1SLC6A11SLC6A13 | |
| SCHEMBL28752486 | 0.76 | HTR6 (0.38) | SLC6A1SLC6A11SLC6A13SMN1; SMN2CHRM5 | |
| SCHEMBL27681986 | 0.74 | HTR6 (0.39) | HTR2C | |
| SCHEMBL8024517 | 0.74 | SIGMAR1 (0.38) | SMN1; SMN2CHRM5CHRM3SIGMAR1 |
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-0699674-A1 | 1-Aryl-2-acetylamidopentanone derivatives for use as tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-03-06 | — | — | EP | disclosed |
| EP-0686629-A2 | Cyclohexyl tachykinine receptor antagonists | ELI LILLY AND COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |