Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | PDE6D | O43924 | 2/20 | 0.74 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.74 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.74 |
| ▸ | PIN1 | Q13526 | 5/20 | 0.66 |
| ▸ | TP53 | P04637 | 4/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | DRD2 | P14416 | 1/20 | 0.64 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.64 |
| ▸ | PPARG | P37231 | 1/20 | 0.63 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.60 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.60 |
| ▸ | BRD4 | O60885 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CNR2 | P34972 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884309 | 0.95 | ALDH1A1 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1PIN1 | |
| SCHEMBL29056606 | 0.86 | ALDH1A1 (0.65) | ALDH1A1PDE6DALDH2ALDH3A1PIN1 | |
| SCHEMBL15568695 | 0.86 | TP53 (0.70) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL229828 | 0.85 | ALDH1A1 (1.00) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL28503579 | 0.85 | ALDH1A1 (0.63) | ALDH1A1PDE6DALDH2ALDH3A1PIN1 | |
| SCHEMBL28503563 | 0.85 | ALDH1A1 (0.63) | ALDH1A1PDE6DALDH2ALDH3A1PIN1 | |
| SCHEMBL15567152 | 0.85 | ALDH1A1 (0.72) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL15474496 | 0.85 | ALDH1A1 (0.80) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL15569395 | 0.83 | ALDH1A1 (0.78) | ALDH1A1PDE6DALDH2ALDH3A1TP53 | |
| SCHEMBL5010971 | 0.83 | ALDH1A1 (1.00) | ALDH1A1PDE6DALDH2ALDH3A1TP53 |
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 |