Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 12/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 12/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | ECE1 | P42892 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL298671 | 0.94 | ITGB1 (0.44) | ITGB1ITGA4ITGB7CTSCTACR2 | |
| SCHEMBL16478305 | 0.85 | ITGB1 (0.51) | ITGB1ITGA4ITGB7ECE1 | |
| SCHEMBL16478337 | 0.84 | ITGB1 (0.52) | ITGB1ITGA4ITGB7ECE1 | |
| SCHEMBL299110 | 0.84 | ALDH1A1 (0.51) | ITGB1ITGA4TACR2 | |
| SCHEMBL289666 | 0.83 | ALDH1A1 (0.46) | ITGB1ITGA4CTSCTACR2 | |
| SCHEMBL298498 | 0.83 | CTSC (0.59) | ITGB1ITGA4ITGB7CTSCTACR2 | |
| SCHEMBL298999 | 0.83 | CTSC (0.44) | ITGB1ITGA4ITGB7CTSCTACR2 | |
| SCHEMBL298776 | 0.82 | SMN1; SMN2 (0.44) | ITGB1ITGA4CTSCTACR2 | |
| SCHEMBL2892835 | 0.81 | ITGB1 (0.41) | ITGB1ITGA4ITGB7CTSCTACR2 | |
| SCHEMBL2892834 | 0.81 | ITGB1 (0.41) | ITGB1ITGA4ITGB7CTSCTACR2 |
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-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |