Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD2 | O14939 | 16/20 | 0.55 |
| ▸ | PLD1 | Q13393 | 13/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377748 | 0.91 | PLD2 (0.58) | PLD2PLD1 | |
| SCHEMBL5366246 | 0.85 | PLD2 (0.76) | PLD2PLD1 | |
| SCHEMBL5367571 | 0.85 | HSD11B1 (0.52) | HSD11B1ALDH1A1MAPK1 | |
| SCHEMBL5365941 | 0.82 | HSD11B1 (0.52) | HSD11B1 | |
| SCHEMBL5369875 | 0.79 | CALCRL (0.48) | — | |
| SCHEMBL3960728 | 0.78 | CALCRL (0.71) | ALDH1A1MAPK1 | |
| SCHEMBL5372045 | 0.78 | HSD11B1 (0.57) | HSD11B1ALDH1A1MAPK1 | |
| SCHEMBL5369487 | 0.77 | CHRM1 (0.70) | PLD2PLD1ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL5366218 | 0.76 | CHRM1 (0.69) | PLD2PLD1ALDH1A1MAPK1 | |
| SCHEMBL3960471 | 0.76 | CALCRL (0.69) | — |
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-7230001-B1 | Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-06-12 | — | — | US | disclosed |