Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16892927 | 0.87 | CA2 (0.36) | GRM2GRM3SLC7A5 | |
| SCHEMBL27587659 | 0.85 | GRM2 (0.39) | GRM2GRM3SLC7A5 | |
| SCHEMBL28426903 | 0.78 | GRM2 (0.32) | GRM2GRM3SLC7A5 | |
| SCHEMBL7470248 | 0.76 | GRM2 (0.34) | GRM2GRM3 | |
| SCHEMBL30873728 | 0.76 | MMP8 (0.32) | GRM2GRM3SLC7A5 | |
| Trifluoroacetic Acid SCHEMBL2475408 | 0.75 | CACNA2D1 (0.41) | DPP8DPP7SLC7A5DPP4 | |
| SCHEMBL2139826 | 0.74 | GRM2 (0.39) | GRM2GRM3SLC7A5 | |
| Isovaleramide SCHEMBL5486726 | 0.74 | ALDH1A1 (0.39) | NOS1NOS2DPP8DPP7SLC7A5 | |
| SCHEMBL12308676 | 0.73 | MMP8 (0.33) | GRM2GRM3SLC7A5 | |
| Trifluoroacetic Acid SCHEMBL7449149 | 0.72 | NOS1 (0.34) | NOS1NOS2DPP8DPP7SLC7A5 |
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-6794365-B2 | INHIBITORS OF THE BLOOD CLOTTING ENZYME FACTOR XA; TREATING THROMBOEMBOLIC DISEASES; TRIFLUOROACETIC ACID SALT OF 2-(4-CARBAMIMIDOYL-BENZYL)-N-((1-CARBAMOYL-4-GUANIDINO-BUTYLCARBAMOYL) -CYCLOHEXYL-METHYL)-N',N'-DIMETHYL-MALONAMIDE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-09-21 | — | — | US | disclosed |