Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6636383 | 0.99 | ESR1 (0.40) | ESR1TRPV1ACHEAURKARPS6KB1 | |
| SCHEMBL6859497 | 0.96 | ESR1 (0.41) | ESR1TRPV1ACHEAURKARPS6KB1 | |
| SCHEMBL6216153 | 0.93 | ACHE (0.42) | ACHEMAPTRXFP1 | |
| SCHEMBL6760761 | 0.90 | POLB (0.43) | ACHEFFAR1 | |
| SCHEMBL6635468 | 0.88 | HSD17B10 (0.41) | TRPV1FFAR1 | |
| SCHEMBL6214624 | 0.87 | FFAR1 (0.42) | TRPV1AURKARPS6KB1FFAR1 | |
| SCHEMBL6635949 | 0.87 | HSD17B10 (0.41) | TRPV1FFAR1 | |
| SCHEMBL6219232 | 0.86 | FFAR1 (0.43) | TRPV1AURKARPS6KB1FFAR1 | |
| SCHEMBL6858119 | 0.86 | ACHE (0.45) | ESR1ACHEAURKARPS6KB1 | |
| SCHEMBL6213909 | 0.86 | ACHE (0.44) | ACHEFFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189907-B1 | THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GMBH (DE) | 2004-12-22 | — | — | EP | disclosed |
| US-6787548-B1 | CARDIOVASCULAR INSUFFICIENCY AND ERECTILE DYSFUNCTION; 3-(4-(3-CHLORO-4-HYDROXYBENZYLAMINO) BENZO(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2004-09-07 | — | — | US | disclosed |