Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
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) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL13009558 | 0.81 | CYP2A6 (0.46) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL10224643 | 0.79 | MTNR1A (0.62) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL10266973 | 0.79 | CA2 (0.60) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL14155198 | 0.79 | MTNR1A (0.48) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL14155187 | 0.78 | ALDH1A1 (0.41) | MTNR1AKEAP1NFE2L2CA2MTNR1B | |
| SCHEMBL21887498 | 0.78 | MTNR1A (0.43) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL156931 | 0.78 | CYP2A6 (0.69) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL6003503 | 0.78 | MTNR1A (0.60) | MTNR1ACYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL14155199 | 0.77 | KEAP1 (0.49) | MTNR1AKEAP1NFE2L2MTNR1B |
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-2011032277-A1 | QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-24 | — | — | WO | disclosed |