Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26985201 | 0.88 | GAA (0.55) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL15295021 | 0.88 | CYP1A2 (0.59) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL2124146 | 0.87 | GAA (0.54) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL2337419 | 0.84 | TDP1 (0.62) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL8398812 | 0.83 | KDM4E (0.53) | GAAALDH1A1TDP1KDM4EMAPT | |
| SCHEMBL25491034 | 0.83 | ALDH1A1 (0.60) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL1734232 | 0.82 | CYP2D6 (0.73) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL20562059 | 0.82 | SLC6A3 (0.50) | GAACYP1A2CYP2D6ALDH1A1TDP1 | |
| SCHEMBL479421 | 0.82 | GAA (0.55) | GAACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL224165 | 0.80 | ALDH1A1 (0.71) | GAAALDH1A1KDM4EMAPTHSD17B10 |
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-2004046118-A2 | 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-06-03 | — | — | WO | disclosed |