Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 9/20 | 0.37 |
| ▸ | MMP1 | P03956 | 4/20 | 0.36 |
| ▸ | MMP13 | P45452 | 4/20 | 0.36 |
| ▸ | CTSC | P53634 | 4/20 | 0.35 |
| ▸ | MMP3 | P08254 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL299846 | 0.94 | MMP1 (0.35) | RORCMMP1MMP13CTSCMMP3 | |
| SCHEMBL290711 | 0.88 | RET (0.37) | RORCMMP1MMP13CTSC | |
| SCHEMBL290431 | 0.86 | GAA (0.48) | — | |
| SCHEMBL290023 | 0.85 | CTSC (0.45) | MMP1MMP13CTSC | |
| SCHEMBL288985 | 0.85 | MMP1 (0.41) | MMP1MMP13CTSCMMP3MMP2 | |
| SCHEMBL290109 | 0.85 | CTSC (0.52) | CTSCMMP3 | |
| SCHEMBL290245 | 0.85 | CTSS (0.39) | MMP1MMP13 | |
| SCHEMBL290153 | 0.83 | CD274 (0.35) | MMP1MMP13CTSCMMP3MMP2 | |
| SCHEMBL290265 | 0.83 | CTSC (0.34) | CTSC | |
| SCHEMBL290665 | 0.83 | CTSC (0.34) | 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 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 |