Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.71 |
| ▸ | MAPT | P10636 | 7/20 | 0.71 |
| ▸ | LMNA | P02545 | 5/20 | 0.71 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GRM6 | O15303 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL135598 | 0.86 | ALDH1A1 (0.75) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL18551034 | 0.83 | MAPT (0.71) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL881267 | 0.83 | ALDH1A1 (0.71) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL871700 | 0.83 | ALDH1A1 (0.71) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL1638729 | 0.83 | ALDH1A1 (1.00) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL7490234 | 0.82 | MAPT (0.69) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL21847260 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL21847237 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL5675411 | 0.75 | ALDH1A1 (0.64) | ALDH1A1MAPTLMNAADORA1GAA | |
| SCHEMBL7490544 | 0.75 | FLT3 (0.61) | ALDH1A1MAPTLMNAADORA1GAA |
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-2018109053-A1 | PROCESS FOR THE MANUFACTURE OF DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-06-21 | — | — | WO | disclosed |