Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC9 | O60706 | 4/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.32 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.31 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9373191 | 0.88 | BACE1 (0.34) | ABCC9BACE1MAOBHTR1AF10 | |
| SCHEMBL9373199 | 0.87 | ABCC9 (0.36) | ABCC9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9374251 | 0.80 | BACE1 (0.36) | ABCC9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9374337 | 0.79 | BACE1 (0.35) | PDE4APDE4BPDE4CPDE4DBACE1 | |
| SCHEMBL9377348 | 0.78 | MAOB (0.37) | ABCC9BACE1MAOBHTR1AF10 | |
| SCHEMBL8085392 | 0.78 | HTR1A (0.35) | ABCC9PDE4APDE4BPDE4CPDE4D | |
| Bimakalim SCHEMBL231904 | 0.77 | PDE4A (0.43) | ABCC9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8088666 | 0.77 | CASP3 (0.34) | ABCC9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9145837 | 0.74 | ABCB1 (0.35) | ABCC9BACE1MAOBHTR1AF10 | |
| SCHEMBL9372258 | 0.74 | ABCC9 (0.34) | ABCC9BACE1ABCB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371312-B1 | Benzoxazine derivatives | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | EP | disclosed |
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |
| EP-0371312-A1 | Benzoxazine derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |