Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 10/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12431073 | 0.74 | IGF1R (0.42) | — | |
| SCHEMBL11532120 | 0.60 | L3MBTL1 (0.49) | GAAL3MBTL1 | |
| SCHEMBL30689428 | 0.59 | HSD11B1 (0.48) | ABCB1ABCG2 | |
| SCHEMBL625835 | 0.58 | LTA4H (0.55) | GAAL3MBTL1 | |
| SCHEMBL4336784 | 0.57 | SMN1; SMN2 (0.43) | GAAL3MBTL1 | |
| Water SCHEMBL9667106 | 0.57 | SMN1; SMN2 (0.43) | GAAL3MBTL1 | |
| SCHEMBL28270607 | 0.56 | KMT2A (0.52) | GAAL3MBTL1 | |
| SCHEMBL8596617 | 0.56 | SMN1; SMN2 (0.56) | — | |
| SCHEMBL27549524 | 0.55 | OPRM1 (0.41) | — | |
| 3-Methoxyphenylacetonitrile SCHEMBL28155308 | 0.55 | PKM (0.58) | GAA |
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-2264028-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-22 | — | — | EP | disclosed |