Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL8315996 | 0.92 | SLC6A2 (0.35) | SCN9ASLC6A2BACE1TRPV3BACE2 | |
| SCHEMBL8311266 | 0.88 | SLC6A2 (0.37) | SLC6A2BACE1TRPV3KIF11 | |
| SCHEMBL8313558 | 0.87 | SLC6A2 (0.38) | SCN9ASLC6A2TRPV3CHRM2CHRM4 | |
| SCHEMBL8310494 | 0.84 | SCN9A (0.38) | SCN9ASLC6A2 | |
| SCHEMBL8311725 | 0.84 | SLC6A2 (0.36) | SLC6A2NR3C1 | |
| SCHEMBL8310708 | 0.84 | SLC6A2 (0.40) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL8316835 | 0.83 | SLC6A2 (0.39) | SLC6A2OPRM1OPRL1NR3C1 | |
| SCHEMBL8314947 | 0.83 | SLC6A2 (0.37) | SCN9ASLC6A2 | |
| SCHEMBL8314123 | 0.83 | SLC6A2 (0.37) | SCN9ASLC6A2 | |
| SCHEMBL8313637 | 0.82 | SLC6A2 (0.36) | SLC6A2BACE1NR3C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0626954-A1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GmbH (DE) | 1994-12-07 | — | — | EP | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |