Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | GPR3 | P46089 | 2/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7291317 | 0.88 | TRPV1 (0.36) | PTGS1PTGS2SLC6A4GPR3P2RY1 | |
| SCHEMBL9584799 | 0.81 | CA12 (0.40) | CA12CA9BACE1CTSDCYP3A4 | |
| SCHEMBL7300076 | 0.77 | PTGS1 (0.35) | PTGS1PTGS2CA12CA9BACE1 | |
| SCHEMBL8802196 | 0.75 | HIF1A (0.43) | PTGS1PTGS2CA12CA9CYP3A4 | |
| SCHEMBL7294955 | 0.74 | HTR2C (0.42) | — | |
| SCHEMBL7301082 | 0.72 | P2RY1 (0.36) | PTGS1PTGS2SLC6A4GPR3P2RY1 | |
| SCHEMBL7294557 | 0.71 | HTR2C (0.42) | CA12CA9BACE1CTSD | |
| SCHEMBL2350567 | 0.71 | BACE1 (0.36) | CA12CA9BACE1CTSD | |
| SCHEMBL7134096 | 0.71 | MAPT (0.49) | PTGS1PTGS2CA12CA9CYP3A4 | |
| SCHEMBL7293216 | 0.71 | PTGS1 (0.41) | PTGS1PTGS2GPR3CA12CA9 |
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-5260444-A | Cardiovascular, hypotensive | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-11-09 | — | — | US | disclosed |
| US-5208245-A | Hypotensive agents | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-05-04 | — | — | US | disclosed |
| EP-0460418-A2 | Novel Dihydropyridine derivative | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1991-12-11 | — | — | EP | disclosed |