Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 18/20 | 0.61 |
| ▸ | JAK2 | O60674 | 2/20 | 0.61 |
| ▸ | GUSB | P08236 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14629876 | 0.82 | PTGES (0.52) | PTGESJAK2CYP2C9JAK3 | |
| SCHEMBL2361133 | 0.79 | PTGES (0.53) | PTGESJAK2GUSBCYP2C9JAK3 | |
| SCHEMBL14629871 | 0.77 | PTGES (0.47) | PTGESJAK2CYP2C9JAK3CYP2D6 | |
| SCHEMBL3539421 | 0.75 | ADORA2B (0.43) | PTGESJAK2CYP2C9 | |
| SCHEMBL13405987 | 0.75 | GUSB (0.53) | PTGESJAK2GUSBCYP2C9 | |
| SCHEMBL4913832 | 0.75 | PTGES (0.51) | PTGESJAK2CYP2C9 | |
| SCHEMBL27961299 | 0.75 | NPC1 (0.55) | GUSB | |
| SCHEMBL13405914 | 0.74 | RHEB (0.54) | PTGESJAK2CYP2C9CYP2D6 | |
| SCHEMBL12294565 | 0.74 | PTGES (0.47) | PTGESJAK2CYP2C9 | |
| SCHEMBL12294718 | 0.74 | PTGES (0.48) | PTGESJAK2CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |