Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 13/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567917 | 0.96 | HRH1 (0.62) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15568201 | 0.92 | HRH1 (0.54) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15567868 | 0.90 | HRH1 (0.51) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15568150 | 0.88 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15567933 | 0.88 | HRH1 (0.51) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15568550 | 0.87 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15567597 | 0.86 | HRH1 (0.54) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15567224 | 0.85 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15568423 | 0.85 | CYP2D6 (0.51) | HRH1CYP2D6CHRM1KCNH2HTR3A | |
| SCHEMBL15567781 | 0.85 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2HTR3A |
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-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | disclosed |