Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21515018 | 0.79 | MAPT (0.51) | CYP3A4CYP2C19CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL21515061 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2C19CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL21515092 | 0.73 | CYP1A2 (0.45) | CYP3A4CYP2C19CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL25745901 | 0.71 | SMN1; SMN2 (0.42) | SMN1; SMN2KDM4EEPHX2 | |
| SCHEMBL21515131 | 0.71 | L3MBTL1 (0.49) | ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL18236244 | 0.70 | CYP1A2 (0.52) | CYP3A4CYP2C19CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL23501744 | 0.69 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EHPGDMAPT | |
| SCHEMBL28516903 | 0.69 | L3MBTL1 (0.47) | ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL15400405 | 0.69 | CYP3A4 (0.68) | CYP3A4CYP2C19CYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL17891818 | 0.69 | CYP1A2 (0.57) | CYP3A4CYP2C19CYP1A2ALDH1A1SMN1; SMN2 |
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-2019201991-A1 | 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY | THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) | 2019-10-24 | — | — | WO | disclosed |