Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | DRD4 | P21917 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3156223 | 0.89 | KMT2A (0.42) | CYP1A2CYP3A4CYP2D6CLK4DRD2 | |
| SCHEMBL3164424 | 0.89 | ADORA2A (0.41) | CYP1A2CYP3A4CYP2D6CLK4ADORA2A | |
| SCHEMBL3170204 | 0.88 | KMT2A (0.43) | USP2DRD2ADORA2AADORA1ADORA2B | |
| SCHEMBL3161165 | 0.88 | ABCG2 (0.45) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3166495 | 0.87 | SLC1A2 (0.44) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3175718 | 0.87 | DRD4 (0.51) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3175820 | 0.87 | MEN1 (0.46) | PHGDHDRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL3175769 | 0.86 | ADORA2A (0.45) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3170498 | 0.85 | TSHR (0.41) | CYP1A2CYP3A4CLK4DRD2DRD4 | |
| SCHEMBL3155892 | 0.85 | ADORA2A (0.46) | CYP1A2CYP3A4CYP2D6CLK4USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |