Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13471700 | 0.85 | ALDH1A1 (0.60) | ALDH1A1GAAL3MBTL1PTGES2NPC1 | |
| SCHEMBL22952761 | 0.78 | ALDH1A1 (0.38) | ALDH1A1GAAL3MBTL1PTGES2 | |
| SCHEMBL14008902 | 0.77 | KDM4E (0.49) | ALDH1A1GAAL3MBTL1NPC1MAPT | |
| SCHEMBL22952759 | 0.77 | TBXAS1 (0.38) | ALDH1A1GAAL3MBTL1PTGES2 | |
| SCHEMBL12568259 | 0.74 | ALDH1A1 (0.56) | ALDH1A1GAAL3MBTL1PTGES2NPC1 | |
| SCHEMBL12859412 | 0.74 | MAPT (0.44) | ALDH1A1GAAL3MBTL1NPC1MAPT | |
| SCHEMBL22951268 | 0.73 | ALDH1A1 (0.35) | ALDH1A1GAAL3MBTL1PTGES2MAPT | |
| SCHEMBL12245379 | 0.71 | MAPT (0.48) | NPC1MAPTPOLBMEN1KMT2A | |
| SCHEMBL22952782 | 0.71 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL12620551 | 0.70 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1PTGES2NPC1 |
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-3772513-A1 | SHP2 INHIBITORS | C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) | 2021-02-10 | — | — | EP | disclosed |