Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CTSC | P53634 | 3/20 | 0.33 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 4/20 | 0.33 |
| ▸ | MMP13 | P45452 | 4/20 | 0.33 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL290711 | 0.90 | RET (0.37) | RETCA2CTSCCTSSCTSK | |
| SCHEMBL290037 | 0.85 | RET (0.36) | RETCTSCCTSSCTSKGHSR | |
| SCHEMBL2893241 | 0.80 | CTSC (0.49) | CTSCCTSSCTSKCTSLCTSB | |
| SCHEMBL2893243 | 0.80 | CTSC (0.49) | CTSCCTSSCTSKCTSLCTSB | |
| SCHEMBL289589 | 0.78 | RORC (0.37) | CTSCMMP1MMP13MMP14MMP2 | |
| SCHEMBL16478183 | 0.76 | RET (0.39) | RETCTSCCTSK | |
| SCHEMBL300140 | 0.76 | ITGB1 (0.42) | CTSCCTSSCTSKITGB1ITGA4 | |
| SCHEMBL300141 | 0.76 | ITGB1 (0.42) | CTSCCTSSCTSKITGB1ITGA4 | |
| SCHEMBL299846 | 0.76 | MMP1 (0.35) | CA2CTSCMMP1MMP13MMP14 | |
| SCHEMBL290431 | 0.74 | GAA (0.48) | KCNH2 |
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 |