Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL8311440 | 0.91 | AKR1B1 (0.34) | AKR1B1 | |
| SCHEMBL8315596 | 0.89 | MAP3K14 (0.34) | AKR1B1MAP3K14 | |
| SCHEMBL8314858 | 0.85 | — | — | |
| SCHEMBL8315843 | 0.85 | SCN9A (0.32) | — | |
| SCHEMBL8310355 | 0.85 | AKR1B1 (0.34) | AKR1B1 | |
| SCHEMBL8315276 | 0.84 | BACE1 (0.33) | AKR1B1 | |
| SCHEMBL8315240 | 0.84 | — | — | |
| SCHEMBL8313605 | 0.83 | HTR2B (0.35) | — | |
| SCHEMBL8315522 | 0.82 | BACE1 (0.33) | — | |
| SCHEMBL8313650 | 0.82 | PDK2 (0.32) | — |
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-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 |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |