Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL13748469 | 0.69 | BACE1 (0.36) | MAP3K11BACE1 | |
| SCHEMBL16446622 | 0.65 | MAPK14 (0.37) | MAPK14MAP3K11 | |
| SCHEMBL1763775 | 0.65 | PDE3B (0.37) | — | |
| SCHEMBL15699563 | 0.64 | MAP3K11 (0.42) | MAP3K11BACE1 | |
| SCHEMBL31349435 | 0.64 | MAP3K11 (0.42) | MAP3K11BACE1 | |
| SCHEMBL29391064 | 0.64 | MAPK8 (0.44) | MAPK14 | |
| SCHEMBL550356 | 0.63 | CALCA (0.50) | BACE1 | |
| SCHEMBL1233721 | 0.63 | MAPK14 (0.42) | MAPK14MAP3K11 | |
| SCHEMBL13747457 | 0.63 | BACE1 (0.40) | BACE1 | |
| Hydrochloric Acid SCHEMBL1435426 | 0.62 | CALCA (0.49) | BACE1 |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |