Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 19/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478333 | 1.00 | TACR2 (0.46) | TACR2ITGB1ITGA4ITGB7 | |
| SCHEMBL16478301 | 0.88 | ITGA4 (0.41) | TACR2ITGB1ITGA4ITGB7 | |
| SCHEMBL16478300 | 0.88 | ITGA4 (0.41) | TACR2ITGB1ITGA4ITGB7 | |
| SCHEMBL16485799 | 0.88 | TACR2 (0.41) | TACR2 | |
| SCHEMBL16478378 | 0.83 | ECE1 (0.41) | TACR2ITGA4ITGB7 | |
| SCHEMBL16478379 | 0.83 | ECE1 (0.41) | TACR2ITGA4ITGB7 | |
| SCHEMBL16485763 | 0.79 | ECE1 (0.41) | TACR2ITGA4ITGB7 | |
| SCHEMBL16485777 | 0.79 | ITGA4 (0.43) | TACR2ITGB1ITGA4ITGB7 | |
| SCHEMBL16485824 | 0.79 | ITGA4 (0.43) | TACR2ITGB1ITGA4ITGB7 | |
| SCHEMBL16485790 | 0.78 | ECE1 (0.38) | TACR2ITGB1ITGA4ITGB7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |