Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2439043 | 0.98 | CHRM5 (0.50) | CHRM5ADRA2CACHECYP1A2SMN1; SMN2 | |
| SCHEMBL713122 | 0.93 | CHRM5 (0.43) | CHRM5ADRA2C | |
| SCHEMBL39245 | 0.93 | CHRM5 (0.43) | CHRM5ADRA2C | |
| SCHEMBL2439970 | 0.91 | CHRM5 (0.46) | CHRM5ADRA2CACHECYP1A2SMN1; SMN2 | |
| SCHEMBL2444719 | 0.84 | GAA (0.35) | CHRM5ADRA2CCYP1A2SMN1; SMN2 | |
| SCHEMBL3553234 | 0.84 | CHRM5 (0.46) | CHRM5ADRA2CACHE | |
| SCHEMBL3558127 | 0.82 | ADRA2C (0.50) | CHRM5ADRA2CACHECYP1A2SMN1; SMN2 | |
| SCHEMBL7114598 | 0.79 | ACHE (0.31) | CHRM5ADRA2CACHE | |
| SCHEMBL161118 | 0.79 | CYP1A2 (0.44) | CHRM5ADRA2CCYP1A2 | |
| SCHEMBL7470700 | 0.78 | ACHE (0.31) | ACHE |
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-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |
| EP-0569802-B1 | Arylacetamides | MERCK PATENT GMBH (DE) | 1998-07-15 | — | — | EP | disclosed |
| US-5532266-A | Acrylacetamides | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |
| EP-0569802-A1 | Arylacetamides | MERCK PATENT GmbH (DE) | 1993-11-18 | — | — | EP | disclosed |