Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4879448 | 0.81 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL320969 | 0.81 | ALDH1A1 (0.52) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| Guanidine SCHEMBL27358697 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL3079965 | 0.79 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL934017 | 0.78 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL3079653 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL1763734 | 0.77 | LMNA (0.57) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| Benzyl Carbamate SCHEMBL30227819 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| Benzyl Carbamate SCHEMBL10700633 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| Benzyl Carbamate SCHEMBL30227887 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139895-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008116742-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-02 | — | — | WO | disclosed |