Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4805342 | 1.00 | KEAP1 (0.44) | KEAP1SMN1; SMN2HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL12208689 | 0.82 | DRD3 (0.43) | — | |
| SCHEMBL12232926 | 0.81 | GBA1 (0.34) | — | |
| SCHEMBL12208691 | 0.76 | GLA (0.46) | SMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL9801679 | 0.75 | KEAP1 (0.52) | KEAP1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL14613087 | 0.75 | KEAP1 (0.52) | KEAP1SMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL4799154 | 0.74 | DRD2 (0.46) | — | |
| SCHEMBL12208674 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL12062244 | 0.73 | KEAP1 (0.42) | KEAP1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL1579909 | 0.73 | KEAP1 (0.53) | KEAP1SMN1; SMN2CYP2D6 |
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-1966198-A1 | 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007050612-A1 | 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | WO | disclosed |