Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.54 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568703 | 0.89 | MEN1 (0.72) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL15567959 | 0.87 | AGTR1 (0.56) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6213576 | 0.85 | PDE4A (0.69) | MEN1KMT2AALDH1A1LMNAHTT | |
| SCHEMBL16556627 | 0.83 | MEN1 (0.60) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL13187162 | 0.82 | HIF1A (0.76) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL16556624 | 0.80 | MEN1 (0.59) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL229324 | 0.80 | MEN1 (0.78) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29411886 | 0.79 | AGTR1 (0.76) | MEN1KMT2AALDH1A1LMNAAGTR1 | |
| SCHEMBL28487275 | 0.79 | AGTR1 (0.76) | MEN1KMT2AALDH1A1LMNAAGTR1 | |
| SCHEMBL15569105 | 0.79 | MEN1 (0.72) | MEN1KMT2AALDH1A1CYP1A2CYP2D6 |
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 |