Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 6/20 | 0.33 |
| ▸ | CTSC | P53634 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL300351 | 0.90 | RET (0.35) | RETGHSRMMP1MMP13CTSC | |
| SCHEMBL289589 | 0.88 | RORC (0.37) | MMP1MMP13RORCCTSC | |
| SCHEMBL290037 | 0.86 | RET (0.36) | RETGHSRMMP1MMP13CTSC | |
| SCHEMBL299846 | 0.82 | MMP1 (0.35) | MMP1MMP13RORCCTSCCA2 | |
| SCHEMBL2890536 | 0.79 | CTSC (0.50) | RETCTSCCTSSCTSKCTSL | |
| SCHEMBL2890537 | 0.79 | CTSC (0.50) | RETCTSCCTSSCTSKCTSL | |
| SCHEMBL16478183 | 0.78 | RET (0.39) | RETCTSCCTSK | |
| SCHEMBL290712 | 0.77 | RET (0.38) | RETGHSRMMP1MMP13CTSC | |
| SCHEMBL290431 | 0.75 | GAA (0.48) | — | |
| SCHEMBL290245 | 0.75 | CTSS (0.39) | MMP1MMP13CTSSCTSK |
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 |