Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL14155194 | 0.83 | CYP2A6 (0.43) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL12820174 | 0.81 | MTNR1A (0.43) | CYP2A6KEAP1NFE2L2CA2MTNR1A | |
| SCHEMBL4418009 | 0.79 | CYP2A6 (0.71) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL3742332 | 0.78 | CYP2A6 (0.69) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL29414360 | 0.78 | CYP2A6 (0.69) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL7146984 | 0.78 | CA2 (0.55) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL5179133 | 0.78 | CA2 (0.55) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL10198118 | 0.74 | CYP2A6 (0.42) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL14155199 | 0.74 | KEAP1 (0.49) | KEAP1NFE2L2HDAC10HDAC11HDAC8 | |
| SCHEMBL14155198 | 0.73 | MTNR1A (0.48) | CYP2A6KEAP1NFE2L2CA2HDAC10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1716160-B1 | NOVEL INHIBITORS OF CHYMASE | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-29 | — | — | EP | disclosed |