Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.31 |
| ▸ | MLYCD | O95822 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | CCKAR | P32238 | 1/20 | 0.30 |
| ▸ | CCKBR | P32239 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6890647 | 0.79 | MLYCD (0.41) | MLYCDNOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL6886600 | 0.79 | NOS1 (0.33) | CHIT1NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL6885600 | 0.75 | NOS1 (0.35) | CHIT1NOS1NOS2 | |
| SCHEMBL944640 | 0.72 | MEN1 (0.39) | SRD5A2 | |
| Isovaleramide SCHEMBL5486726 | 0.70 | ALDH1A1 (0.39) | DPP8DPP7DPP4NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL6892922 | 0.68 | CHIT1 (0.40) | CHIT1NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL7444190 | 0.68 | NOS1 (0.34) | DPP8DPP7DPP4F2MLYCD | |
| Trifluoroacetic Acid SCHEMBL20527407 | 0.68 | FFAR3 (0.40) | DPP8DPP7DPP4NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL29921797 | 0.68 | FFAR3 (0.40) | DPP8DPP7DPP4NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL3241512 | 0.68 | FFAR3 (0.40) | DPP8DPP7DPP4NOS1NOS2 |
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 |