Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL10283759 | 0.80 | MMP12 (0.49) | MMP12PARP1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL859012 | 0.76 | MMP12 (0.38) | MMP12PARP1CYP11B1CYP11B2GAA | |
| SCHEMBL3082129 | 0.76 | ALDH1A1 (0.38) | MMP12PARP1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL18307151 | 0.76 | MMP12 (0.38) | MMP12PARP1CYP11B1CYP11B2GAA | |
| SCHEMBL7958200 | 0.76 | MMP12 (0.38) | MMP12PARP1CYP11B1CYP11B2GAA | |
| SCHEMBL15979057 | 0.76 | NR3C2 (0.39) | MMP12CYP11B1CYP11B2NR3C2KCNH2 | |
| SCHEMBL7326455 | 0.76 | PARP1 (0.39) | MMP12PARP1CYP11B1CYP11B2NSD2 | |
| SCHEMBL19430275 | 0.76 | MMP12 (0.39) | MMP12PARP1CYP11B1CYP11B2NSD2 | |
| SCHEMBL14804046 | 0.76 | MMP12 (0.39) | MMP12PARP1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL13662161 | 0.76 | PARP1 (0.52) | MMP12PARP1CYP11B1CYP11B2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009100536-A1 | INHIBITORS OF KINASE ACTIVITY WITH 1,2-DI-CYCLYL SUBSTITUTED ALKYNE STRUCTURES | METHYLGENE INC. (CA) | 2009-08-20 | — | — | WO | disclosed |