Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.41 |
| ▸ | MMP13 | P45452 | 4/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL290023 | 0.90 | CTSC (0.45) | MMP1MMP13CTSCSMN1; SMN2KCNH2 | |
| SCHEMBL290153 | 0.89 | CD274 (0.35) | MMP1MMP13CTSCKCNH2LTB4R | |
| SCHEMBL290245 | 0.87 | CTSS (0.39) | MMP1MMP13SMN1; SMN2CNR1CTSS | |
| SCHEMBL289882 | 0.86 | CTSC (0.32) | CTSCKCNH2LTB4RLTB4R2CTSS | |
| SCHEMBL289589 | 0.85 | RORC (0.37) | MMP1MMP13CTSCMMP2MMP3 | |
| SCHEMBL290311 | 0.85 | MMP12 (0.44) | MMP13CTSCMCHR1KCNH2LTB4R | |
| SCHEMBL290265 | 0.85 | CTSC (0.34) | CTSCKCNH2LTB4RLTB4R2CTSL | |
| SCHEMBL290665 | 0.85 | CTSC (0.34) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL299846 | 0.83 | MMP1 (0.35) | MMP1MMP13CTSCKCNH2LTB4R | |
| SCHEMBL290431 | 0.83 | GAA (0.48) | MEN1KMT2ASMN1; SMN2KCNH2ALDH1A1 |
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 |