Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15768033 | 0.85 | HTT (0.42) | HTTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL6169286 | 0.79 | ALDH1A1 (0.50) | HTTALDH1A1NPC1CYP1A2SMN1; SMN2 | |
| SCHEMBL2373891 | 0.77 | HTT (0.48) | HTTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL15767909 | 0.77 | HTT (0.36) | HTTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL4692253 | 0.76 | LMNA (0.46) | KMT2AALDH1A1LMNAPOLBGAA | |
| SCHEMBL3812369 | 0.73 | ALDH1A1 (0.44) | HTTMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL20073784 | 0.72 | HTT (0.43) | HTTMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL27683177 | 0.70 | ALDH1A1 (0.41) | HTTMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL15767938 | 0.70 | POLB (0.34) | HTTMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL27878889 | 0.68 | ALDH1A1 (0.50) | HTTALDH1A1NPC1CYP1A2SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2552918-B1 | N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-06-11 | — | — | EP | claimed |