Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL845034 | 0.81 | GBA1 (0.43) | ALDH1A1SMN1; SMN2GAAMAPTKDM4E | |
| SCHEMBL41446 | 0.76 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2GAAL3MBTL1CYP1A2 | |
| SCHEMBL3585802 | 0.76 | KMT2A (0.37) | ALDH1A1SMN1; SMN2GAAL3MBTL1CYP1A2 | |
| SCHEMBL2251909 | 0.76 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2GAACYP1A2CYP2C9 | |
| SCHEMBL3596324 | 0.76 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2L3MBTL1CYP2C9MAPT | |
| SCHEMBL11188970 | 0.73 | USP2 (0.40) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2634412 | 0.73 | SMN1; SMN2 (0.45) | ALDH1A1SMN1; SMN2GAAL3MBTL1CYP1A2 | |
| SCHEMBL3218972 | 0.72 | NPC1 (0.53) | ALDH1A1SMN1; SMN2GAAL3MBTL1CYP1A2 | |
| SCHEMBL2634885 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2GAAL3MBTL1CYP1A2 | |
| SCHEMBL28698577 | 0.72 | PIK3C3 (0.48) | ALDH1A1SMN1; SMN2GAAL3MBTL1CYP1A2 |
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-2010007100-A1 | 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS | CELLZOME LTD (GB) | 2010-01-21 | — | — | WO | disclosed |