Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL10445152 | 0.99 | CYP2D6 (0.37) | CYP2D6CNR1CNR2HRH3HSD11B1 | |
| SCHEMBL6475630 | 0.74 | ALOX5 (0.45) | PTGS1 | |
| SCHEMBL9537195 | 0.72 | PTGS2 (0.49) | HRH3HSD11B1PTGS1PTGS2 | |
| SCHEMBL9458748 | 0.69 | ALOX5 (0.46) | PTGS1 | |
| SCHEMBL9458649 | 0.69 | PTGES (0.44) | PTGS1PTGS2 | |
| SCHEMBL9472243 | 0.67 | PTGS2 (0.49) | HRH3PTGS1PTGS2 | |
| SCHEMBL5672731 | 0.65 | SOAT1 (0.54) | SOAT1 | |
| SCHEMBL25867877 | 0.64 | LIPG (0.47) | HSD11B1SOAT1 | |
| SCHEMBL8521601 | 0.64 | LIPG (0.55) | SOAT1 | |
| SCHEMBL3726514 | 0.64 | LIPG (0.55) | SOAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5260451-A | Enzyme inhibitors | MERCKLE GMBH (DE) | 1993-11-09 | — | — | US | disclosed |
| EP-0397175-A1 | Substituted pyrrolizine compounds and theit use as pharmaceuticals | Dannhardt, Gerd, Prof.Dr. (DE) | 1990-11-14 | — | — | EP | disclosed |