Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 6/20 | 0.43 |
| ▸ | AKT2 | P31751 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL362977 | 0.84 | ALDH1A1 (0.51) | AKT1AKT2ALDH1A1RAB9AKDM4E | |
| SCHEMBL9293340 | 0.78 | MAPK14 (0.52) | AKT1AKT2DYRK1AMAPK13CSNK1D | |
| SCHEMBL3702134 | 0.78 | AKT1 (0.40) | AKT1AKT2ALDH1A1RAB9AKDM4E | |
| SCHEMBL3701588 | 0.74 | AKT1 (0.47) | AKT1AKT2ALDH1A1DRD2DRD4 | |
| SCHEMBL15116245 | 0.72 | FLT1 (0.39) | ALDH1A1RAB9AKDM4EHPGDGAA | |
| SCHEMBL363046 | 0.70 | ALDH1A1 (0.42) | ALDH1A1RAB9AKDM4EHPGDGAA | |
| SCHEMBL19664874 | 0.70 | RAB9A (0.51) | ALDH1A1RAB9AKDM4EHPGDGAA | |
| SCHEMBL3520105 | 0.70 | RAB9A (0.55) | ALDH1A1RAB9AKDM4EHPGDGAA | |
| SCHEMBL9298339 | 0.69 | ALDH1A1 (0.73) | ALDH1A1RAB9AKDM4EHPGDGAA | |
| SCHEMBL15688194 | 0.68 | ALDH1A1 (0.39) | ALDH1A1RAB9AKDM4EHPGDGAA |
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-2396330-A1 | FUSED PYRIMIDINES | Bayer Pharma Aktiengesellschaft (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010091808-A1 | FUSED PYRIMIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-08-19 | — | — | WO | disclosed |