Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | BRD4 | O60885 | 10/20 | 0.51 |
| ▸ | PDE6D | O43924 | 2/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568175 | 0.92 | BRD4 (0.48) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568323 | 0.92 | ALDH1A1 (0.52) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568648 | 0.88 | ALDH1A1 (0.61) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568320 | 0.86 | ALDH1A1 (0.70) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568513 | 0.84 | TP53 (0.48) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15567574 | 0.84 | DRD2 (0.51) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568269 | 0.82 | ALDH1A1 (0.57) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15569018 | 0.80 | BRD4 (0.50) | BRD4MAPTHRH3 | |
| SCHEMBL15567956 | 0.79 | ALDH1A1 (0.52) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568475 | 0.79 | ALDH1A1 (0.53) | ALDH1A1BRD4PDE6DALDH2ALDH3A1 |
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 |