Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3162245 | 0.95 | ALDH1A1 (0.47) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3171179 | 0.93 | KMT2A (0.50) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3170639 | 0.92 | KMT2A (0.48) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3166463 | 0.92 | CNR1 (0.47) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3163133 | 0.91 | TP53 (0.49) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3169166 | 0.90 | ALDH1A1 (0.49) | ADORA2AADORA1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL3166238 | 0.90 | ALDH1A1 (0.54) | ADORA2ACYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL3168745 | 0.90 | ADORA2A (0.56) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3176019 | 0.89 | CYP1A2 (0.57) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3172454 | 0.88 | ADORA1 (0.54) | ADORA2AADORA1CYP1A2CYP3A4CLK4 |
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 |