Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 11/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | PDE6D | O43924 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15569126 | 0.92 | HRH1 (0.66) | HTR3AHRH1CYP2D6CHRM1KCNH2 | |
| SCHEMBL7168715 | 0.82 | HTR3A (0.81) | HTR3ATSHRHRH1CYP2D6CHRM1 | |
| SCHEMBL7341277 | 0.81 | HTR3A (0.75) | HTR3AHRH1CYP2D6CHRM1KMT2A | |
| SCHEMBL15568787 | 0.79 | HRH1 (0.62) | HTR3AHRH1CYP2D6CHRM1KCNH2 | |
| SCHEMBL15474498 | 0.77 | PDE6D (0.66) | HTR3AHRH1CYP2D6CHRM1KMT2A | |
| SCHEMBL10967129 | 0.76 | HTR3A (0.71) | HTR3A | |
| SCHEMBL15568725 | 0.76 | HRH1 (0.61) | HTR3AHRH1CYP2D6CHRM1KCNH2 | |
| SCHEMBL15567597 | 0.75 | HRH1 (0.54) | HTR3ATSHRHRH1CYP2D6CHRM1 | |
| SCHEMBL9023706 | 0.74 | HTR3A (0.85) | HTR3A | |
| Lerisetron SCHEMBL141124 | 0.74 | HTR3A (1.00) | HTR3A |
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 |