Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 19/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 18/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567963 | 0.84 | HRH1 (0.60) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15569071 | 0.83 | HRH1 (0.58) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568423 | 0.81 | CYP2D6 (0.51) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15567208 | 0.78 | HRH1 (0.56) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568725 | 0.78 | HRH1 (0.61) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15567870 | 0.77 | HRH1 (0.58) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568527 | 0.76 | HRH1 (0.66) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15569235 | 0.76 | HRH1 (0.56) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL9536935 | 0.74 | NPSR1 (0.55) | HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL15567989 | 0.74 | HRH1 (0.54) | HRH1CYP2D6KCNH2CHRM1HTR3A |
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 |