Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 15/20 | 0.56 |
| ▸ | TACR1 | P25103 | 2/20 | 0.56 |
| ▸ | TACR2 | P21452 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9196229 | 0.85 | HRH1 (0.66) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL15567862 | 0.84 | HRH1 (0.55) | HRH1TP53CYP2D6 | |
| SCHEMBL15568226 | 0.82 | HRH1 (0.63) | HRH1TACR1TACR2 | |
| SCHEMBL9259609 | 0.82 | HRH1 (0.67) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL15569315 | 0.81 | HRH1 (0.62) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL9259200 | 0.80 | HRH1 (0.63) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL9264751 | 0.80 | HRH1 (0.72) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL9259670 | 0.79 | HRH1 (0.69) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL9266568 | 0.79 | HRH1 (0.66) | HRH1TACR1TACR2TP53CYP2D6 | |
| SCHEMBL9264591 | 0.78 | HRH1 (0.62) | HRH1TACR1TACR2TP53CYP2D6 |
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 |