Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 17/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 15/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567927 | 0.86 | HRH1 (0.55) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15567762 | 0.84 | HRH1 (0.56) | HRH1CYP2D6TP53 | |
| SCHEMBL15567221 | 0.84 | HRH1 (0.54) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568227 | 0.80 | ALDH1A1 (0.61) | HRH1CYP2D6KCNH2CYP3A4HTR2B | |
| SCHEMBL18292404 | 0.80 | HRH1 (0.65) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568131 | 0.79 | HRH1 (0.61) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568581 | 0.78 | HRH1 (0.49) | HRH1CYP2D6KCNH2CHRM1TP53 | |
| SCHEMBL15568031 | 0.78 | HTR3A (0.66) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL27317913 | 0.78 | HRH1 (0.69) | HRH1CYP2D6KCNH2CHRM1HTR3A | |
| SCHEMBL15568462 | 0.77 | CYP1A2 (0.75) | 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 2 patents. 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 | claimed |
| WO-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | disclosed |