Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 4/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8159487 | 1.00 | BACE1 (0.43) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL7170865 | 0.99 | TRPA1 (0.44) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL6935295 | 0.99 | TRPA1 (0.44) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL28354139 | 0.99 | TRPA1 (0.44) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL29358897 | 0.99 | TRPA1 (0.44) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL204249 | 0.99 | TRPA1 (0.44) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL7170869 | 0.99 | TRPA1 (0.44) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL10358886 | 0.91 | SNCA (0.45) | BACE1TRPA1NFE2L2SNCALMNA | |
| SCHEMBL9308756 | 0.91 | NFE2L2 (0.42) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 | |
| SCHEMBL9308752 | 0.91 | NFE2L2 (0.42) | BACE1TRPA1NFE2L2CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6084120-A | ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID | HOFFMANN-LA ROCHE INC. (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0996439-A1 | $g(b)-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999002150-A1 | β-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-21 | — | — | WO | disclosed |