Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205278 | 0.86 | ALDH1A1 (0.37) | TDP1ALDH1A1GFERHTR1AADRA1D | |
| SCHEMBL6205531 | 0.82 | MAPT (0.50) | TDP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL6204478 | 0.78 | MAPT (0.47) | ALDH1A1GFERKDM4ECYP1A2CYP3A4 | |
| SCHEMBL5744907 | 0.73 | GAA (0.45) | ALDH1A1GFERKDM4ECLK4LMNA | |
| SCHEMBL4706529 | 0.72 | NR1I2 (0.39) | TDP1ALDH1A1SRCABL1BCR | |
| SCHEMBL7529401 | 0.72 | TDP1 (0.66) | TDP1ALDH1A1SRCABL1BCR | |
| SCHEMBL12748233 | 0.71 | TDP1 (0.64) | TDP1ALDH1A1SRCHTR1AADRA1D | |
| SCHEMBL30106110 | 0.71 | TDP1 (0.64) | TDP1ALDH1A1SRCABL1BCR | |
| SCHEMBL878052 | 0.71 | TDP1 (0.64) | TDP1ALDH1A1SRCABL1BCR | |
| SCHEMBL4692835 | 0.71 | MAPT (0.45) | TDP1ALDH1A1GFERKDM4ECYP1A2 |
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 4 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 | claimed |
| WO-2004041822-A1 | PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-21 | — | — | WO | claimed |
| 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 |