Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 9/20 | 0.33 |
| ▸ | PDE9A | O76083 | 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 | |
|---|---|---|---|---|
| SCHEMBL13253231 | 0.81 | KCNT1 (0.38) | KCNT1F2PDE9A | |
| SCHEMBL13997473 | 0.80 | ADORA2A (0.35) | — | |
| SCHEMBL13997426 | 0.80 | BACE1 (0.34) | — | |
| SCHEMBL16602179 | 0.80 | CALCRL (0.46) | — | |
| SCHEMBL13997468 | 0.77 | NPC1 (0.43) | — | |
| SCHEMBL13997475 | 0.76 | KLKB1 (0.33) | — | |
| SCHEMBL13997472 | 0.75 | P2RX7 (0.43) | — | |
| SCHEMBL13997425 | 0.75 | ACHE (0.39) | — | |
| SCHEMBL13997661 | 0.75 | OPRM1 (0.40) | — | |
| SCHEMBL13997477 | 0.74 | SMN1; SMN2 (0.35) | — |
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-2008153849-A1 | CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-12-18 | — | — | WO | disclosed |