Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | HRH1 | P35367 | 4/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL15567418 | 0.81 | HRH1 (0.59) | PDE6DCYP2D6HRH1CHRM1HTR3A | |
| SCHEMBL15474498 | 0.80 | PDE6D (0.66) | PDE6DCYP2D6HRH1CHRM1HTR3A | |
| SCHEMBL13181960 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL1440257 | 0.79 | PTGES (0.66) | PDE6DALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL15568544 | 0.79 | CYP2D6 (0.54) | PDE6DCYP2D6HRH1CHRM1ALDH1A1 | |
| SCHEMBL15568131 | 0.79 | HRH1 (0.61) | CYP2D6HRH1CHRM1HTR3AKCNH2 | |
| SCHEMBL15567387 | 0.78 | TP53 (0.54) | PDE6DALDH1A1NPSR1 | |
| SCHEMBL10337607 | 0.77 | HRH1 (0.74) | CYP2D6HRH1CHRM1HTR3AKCNH2 | |
| SCHEMBL15474687 | 0.76 | PDE6D (0.79) | PDE6DCYP2D6HRH1HTR3AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15567810 | 0.76 | HRH1 (0.57) | PDE6DCYP2D6HRH1CHRM1HTR3A |
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 |