Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | GCG | P01275 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3161208 | 0.90 | CYP1A2 (0.47) | ADORA3SMN1; SMN2CYP1A2GPR119ALDH1A1 | |
| SCHEMBL3161520 | 0.89 | ALDH1A1 (0.45) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL3170845 | 0.87 | ADORA3 (0.46) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3163156 | 0.86 | RAB9A (0.48) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3176983 | 0.85 | ADORA3 (0.57) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3170831 | 0.85 | L3MBTL1 (0.50) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3163147 | 0.84 | ALDH1A1 (0.50) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3172697 | 0.83 | NPC1 (0.47) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3175775 | 0.83 | ADORA3 (0.48) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3165534 | 0.83 | ADORA3 (0.44) | ADORA3MEN1KMT2ASMN1; SMN2NPC1 |
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 |