Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL290311 | 0.91 | MMP12 (0.44) | CTSCKCNH2LTB4RLTB4R2MMP13 | |
| SCHEMBL288985 | 0.90 | MMP1 (0.41) | CTSCKCNH2LTB4RLTB4R2MMP13 | |
| SCHEMBL290153 | 0.87 | CD274 (0.35) | CTSCKCNH2LTB4RLTB4R2MMP13 | |
| SCHEMBL290245 | 0.87 | CTSS (0.39) | MMP13MMP1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL290265 | 0.87 | CTSC (0.34) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL290665 | 0.87 | CTSC (0.34) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL289882 | 0.86 | CTSC (0.32) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL289589 | 0.85 | RORC (0.37) | CTSCMMP13MMP1 | |
| SCHEMBL299846 | 0.83 | MMP1 (0.35) | CTSCKCNH2LTB4RLTB4R2MMP13 | |
| SCHEMBL290431 | 0.83 | GAA (0.48) | KCNH2HPGDALDH1A1GAASMN1; SMN2 |
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 |