Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6205531 | 0.92 | MAPT (0.50) | MAPTGAAPPARGNPC1RAB9A | |
| SCHEMBL4692835 | 0.84 | MAPT (0.45) | MAPTGAANPC1RAB9AALDH1A1 | |
| SCHEMBL6202984 | 0.80 | MAPT (0.42) | MAPTGAAPPARGNPC1RAB9A | |
| SCHEMBL6204394 | 0.79 | MAPT (0.46) | MAPTGAAPPARGNPC1RAB9A | |
| SCHEMBL6205278 | 0.78 | ALDH1A1 (0.37) | MAPTGAAALDH1A1GFERKDM4E | |
| SCHEMBL6203897 | 0.78 | TDP1 (0.50) | GAAALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5744907 | 0.72 | GAA (0.45) | MAPTGAAALDH1A1GFERKDM4E | |
| SCHEMBL11115002 | 0.72 | GAA (0.70) | MAPTGAAPPARGNPC1RAB9A | |
| SCHEMBL4441801 | 0.71 | MAPT (0.60) | MAPTGAAPPARGALDH1A1SMN1; SMN2 | |
| SCHEMBL30961398 | 0.70 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2APPGFER |
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-1560832-A1 | PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004041822-A1 | PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-21 | — | — | WO | disclosed |