Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 4/20 | 0.56 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | ALDH1A2 | O94788 | 4/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.52 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.52 |
| ▸ | PPARG | P37231 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568517 | 0.88 | ALDH1A1 (0.69) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15568680 | 0.87 | MEN1 (0.60) | AGTR1AGTR2ALDH1A1MEN1CYP1A2 | |
| SCHEMBL15568703 | 0.83 | MEN1 (0.72) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16556627 | 0.78 | MEN1 (0.60) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13187162 | 0.77 | HIF1A (0.76) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15568343 | 0.76 | ALDH1A1 (0.67) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9740603 | 0.75 | ALDH1A1 (0.66) | AGTR1AGTR2POLBALDH1A1MEN1 | |
| SCHEMBL6213576 | 0.75 | PDE4A (0.69) | POLBALDH1A1MEN1KMT2A | |
| SCHEMBL16556624 | 0.75 | MEN1 (0.59) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL229324 | 0.74 | MEN1 (0.78) | AGTR1AGTR2POLBALDH1A1MEN1 |
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 |