Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 10/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858279 | 0.93 | PDE5A (0.42) | PDE5A | |
| SCHEMBL6763383 | 0.91 | PDE5A (0.42) | PDE5APDE10APOLBKMT2AALDH1A1 | |
| SCHEMBL7675129 | 0.91 | MEN1 (0.39) | PDE5APDE10AKMT2AALDH1A1DGAT1 | |
| Bicarbonate SCHEMBL6216777 | 0.90 | PDE5A (0.42) | PDE5APDE10APOLBKMT2A | |
| SCHEMBL7674199 | 0.89 | PDE10A (0.39) | PDE5APDE10AALDH1A1DGAT1 | |
| SCHEMBL6852827 | 0.88 | HSD17B10 (0.39) | PDE5APDE10AALDH1A1DGAT1 | |
| SCHEMBL6762955 | 0.87 | PDE5A (0.37) | PDE5APDE10APOLBKMT2AALDH1A1 | |
| SCHEMBL6858363 | 0.87 | PDE5A (0.41) | PDE5A | |
| SCHEMBL6861041 | 0.84 | TRPV1 (0.40) | KMT2A | |
| Beminafil SCHEMBL2421268 | 0.83 | PDE5A (0.47) | PDE5A |
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-6495557-B1 | SUCH AS 3-(4-(3-CHLORO-4-METHOXYBENZYLAMINO)BENZO-(4,5)-THIENO (2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID; CARDIOVASCULAR DISORDERS AND/OR IMPAIRED POTENCY | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-12-17 | — | — | US | disclosed |