Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | PDE6D | O43924 | 4/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 3/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568257 | 0.82 | MEN1 (0.53) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL15567387 | 0.79 | TP53 (0.54) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL15567927 | 0.76 | HRH1 (0.55) | — | |
| SCHEMBL15567993 | 0.76 | ALDH1A1 (0.62) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL15567589 | 0.76 | ALDH1A1 (0.62) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL15567212 | 0.76 | ALDH1A1 (0.62) | ALDH1A1PDE6DALDH2ALDH3A1BRD4 | |
| SCHEMBL15568227 | 0.73 | ALDH1A1 (0.61) | ALDH1A1ALDH2ALDH3A1MAPTNPSR1 | |
| SCHEMBL5916037 | 0.73 | PDE6D (0.55) | ALDH1A1PDE6DALDH2ALDH3A1HRH3 | |
| SCHEMBL15567862 | 0.72 | HRH1 (0.55) | TP53 | |
| SCHEMBL15568581 | 0.72 | HRH1 (0.49) | ALDH1A1PDE6DTP53MAPTSMN1; SMN2 |
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 |