Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.36 |
| ▸ | ITGAV | P06756 | 8/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.36 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4714907 | 0.80 | ITGB3 (0.42) | CD274BDKRB1ITGB3ITGAVITGA2B | |
| SCHEMBL4718825 | 0.72 | ITGB3 (0.48) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4716886 | 0.71 | ITGB1 (0.42) | ITGB3ITGAVITGB1ITGA5ALDH1A1 | |
| SCHEMBL4718126 | 0.71 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4716851 | 0.69 | DPP4 (0.51) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4718121 | 0.69 | ITGB3 (0.48) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4718672 | 0.67 | ITGB3 (0.47) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL4715244 | 0.66 | ITGB1 (0.40) | ITGB1ITGA5DRD2MAPT | |
| SCHEMBL8408488 | 0.59 | GBA1 (0.48) | ITGB1ITGA5ALDH1A1FFAR1 | |
| SCHEMBL3374151 | 0.59 | CXCR4 (0.82) | ALDH1A1HPGDHDAC1CXCR4KDM4E |
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-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |