Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 13/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 13/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 8/20 | 0.40 |
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL300140 | 0.87 | ITGB1 (0.42) | ITGB1ITGA4ITGB7CTSC | |
| SCHEMBL300141 | 0.87 | ITGB1 (0.42) | ITGB1ITGA4ITGB7CTSC | |
| SCHEMBL9888300 | 0.85 | CTSC (0.49) | ITGB1ITGA4CTSCTACR2MMP1 | |
| SCHEMBL9888327 | 0.80 | F11 (0.35) | ITGB1ITGA4ITGB7 | |
| SCHEMBL9888289 | 0.79 | CTSC (0.37) | ITGB1ITGA4ITGB7CTSCECE1 | |
| SCHEMBL9888321 | 0.79 | CTSC (0.54) | CTSCTACR2 | |
| SCHEMBL2892835 | 0.78 | ITGB1 (0.41) | ITGB1ITGA4ITGB7CTSCTACR2 | |
| SCHEMBL2892834 | 0.78 | ITGB1 (0.41) | ITGB1ITGA4ITGB7CTSCTACR2 | |
| SCHEMBL298671 | 0.77 | ITGB1 (0.44) | ITGB1ITGA4ITGB7CTSCECE1 | |
| SCHEMBL9888277 | 0.76 | CTSC (0.40) | CTSC |
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-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |