Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | STAT6 | P42226 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6635949 | 0.97 | HSD17B10 (0.41) | HSD17B10STAT6CA1CA2HSD17B2 | |
| SCHEMBL6635468 | 0.97 | HSD17B10 (0.41) | HSD17B10STAT6CA1CA2HSD17B2 | |
| SCHEMBL6633539 | 0.95 | HSD17B10 (0.43) | HSD17B10STAT6CA1CA2HSD17B2 | |
| SCHEMBL6762774 | 0.93 | TRPV1 (0.44) | TRPV1MAOBFFAR1CYP1A2CYP2D6 | |
| SCHEMBL6853056 | 0.91 | KDM4E (0.41) | HSD17B10STAT6CA1CA2HSD17B2 | |
| SCHEMBL6219232 | 0.90 | FFAR1 (0.43) | TRPV1MAOBFFAR1 | |
| SCHEMBL6214624 | 0.90 | FFAR1 (0.42) | TRPV1MAOBFFAR1 | |
| SCHEMBL6860781 | 0.89 | HSD17B10 (0.44) | HSD17B10STAT6CA1CA2HSD17B2 | |
| SCHEMBL6762884 | 0.89 | ACHE (0.45) | — | |
| SCHEMBL6635736 | 0.89 | STAT6 (0.42) | HSD17B10STAT6CA1CA2HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |