Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7022293 | 0.84 | CHEK1 (0.37) | HTR6CHEK1PDE10A | |
| SCHEMBL6582523 | 0.80 | DDAH1 (0.42) | SMN1; SMN2HTR6CHEK1 | |
| SCHEMBL11122762 | 0.78 | CHEK1 (0.39) | HTR6CHEK1 | |
| SCHEMBL10693756 | 0.77 | AAK1 (0.42) | AAK1NPC1RAB9ACYP1A2 | |
| SCHEMBL7608595 | 0.77 | PSMB8 (0.45) | AAK1NPC1POLBRAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10695809 | 0.76 | AAK1 (0.41) | AAK1NPC1RAB9ACYP1A2 | |
| SCHEMBL10694372 | 0.76 | LMNA (0.45) | SMN1; SMN2HTR6CHEK1CYP1A2CYP3A4 | |
| SCHEMBL6756268 | 0.75 | AAK1 (0.45) | AAK1PARP1 | |
| SCHEMBL10690713 | 0.74 | GAA (0.47) | NPC1RAB9AHTR6CYP1A2CYP3A4 | |
| SCHEMBL4062820 | 0.73 | MGAM (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010103306-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS | ASTRAZENECA UK LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |
| EP-0252507-A1 | 2-(4-Pyridylaminomethyl)-benzimidazole derivatives having antiviral activity | Maruishi Seiyaku Kabushiki Kaisha (JP) | 1988-01-13 | — | — | EP | disclosed |