Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 4/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL223674 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL1079274 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL23582744 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL27635826 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL16762471 | 0.77 | TLR7 (0.40) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL23582300 | 0.75 | ALDH1A1 (0.36) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL12633755 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL2019929 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1081864 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1864019 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 |
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-2046755-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. Hoffmann-Roche AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008012227-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-31 | — | — | WO | disclosed |