Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3172079 | 0.94 | ADORA3 (0.51) | ADORA3CNR1MALT1LTA4HCYP1A2 | |
| SCHEMBL3165040 | 0.93 | ADORA3 (0.53) | ADORA3CNR1MALT1LTA4HCYP1A2 | |
| SCHEMBL3175971 | 0.93 | ADORA3 (0.56) | ADORA3CNR1MALT1LTA4HCYP1A2 | |
| SCHEMBL3175682 | 0.93 | ADORA3 (0.50) | ADORA3CNR1MALT1LTA4HCYP1A2 | |
| SCHEMBL3163677 | 0.92 | ADORA3 (0.49) | ADORA3CNR1MALT1LTA4HCYP1A2 | |
| SCHEMBL3175775 | 0.91 | ADORA3 (0.48) | ADORA3CNR1MALT1CYP1A2ALDH1A1 | |
| SCHEMBL3163156 | 0.89 | RAB9A (0.48) | ADORA3MALT1LMNAMEN1NPC1 | |
| SCHEMBL3171192 | 0.89 | ADORA3 (0.47) | ADORA3MALT1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL3171606 | 0.89 | ADORA3 (0.46) | ADORA3MALT1LTA4HALDH1A1MEN1 | |
| SCHEMBL3172697 | 0.89 | NPC1 (0.47) | ADORA3MALT1CYP1A2ALDH1A1CYP3A4 |
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 |