Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7469245 | 0.79 | SLC22A12 (0.44) | PGK1SLC22A12 | |
| SCHEMBL29142092 | 0.66 | P2RX7 (0.40) | PGK1 | |
| SCHEMBL4576468 | 0.66 | SLC22A12 (0.50) | SLC22A12 | |
| SCHEMBL11311719 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL7468904 | 0.64 | SLC22A12 (0.42) | SLC22A12 | |
| SCHEMBL8477318 | 0.64 | RAB9A (0.45) | SLC22A12 | |
| SCHEMBL31037386 | 0.63 | CYP1A2 (0.38) | PGK1SLC22A12 | |
| SCHEMBL22685832 | 0.63 | CYP1A2 (0.38) | PGK1SLC22A12 | |
| SCHEMBL11066945 | 0.62 | TSHR (0.42) | SLC22A12 | |
| SCHEMBL18301791 | 0.61 | SLC22A12 (0.43) | SLC22A12 |
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-5942622-A | NOVEL COMPOUNDS FOR TREATING ILLNESS RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIAL RECEPTORS; FOR EXAMPLE: 4-((6-CHLORO-1,3-BENZODIOXOL-5-YL)METHYL)-1-(CYCLOHEXYLMETHYL) -3-(2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLATE | HOECHST MARION ROUSSEL (FR) | 1999-08-24 | — | — | US | disclosed |