Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3168238 | 1.00 | ADORA3 (0.40) | ADORA3PIM2TAS1R3TAS1R1CYP1A2 | |
| SCHEMBL3171308 | 0.91 | PIM2 (0.46) | ADORA3PIM2TAS1R3TAS1R1CYP1A2 | |
| SCHEMBL3171320 | 0.91 | PIM2 (0.46) | ADORA3PIM2TAS1R3TAS1R1CYP1A2 | |
| SCHEMBL3170642 | 0.87 | KMT2A (0.49) | ADORA3PIM2CYP1A2MAPTNLRP3 | |
| SCHEMBL3170630 | 0.87 | KMT2A (0.49) | ADORA3PIM2CYP1A2MAPTNLRP3 | |
| SCHEMBL3163351 | 0.84 | SMN1; SMN2 (0.51) | ADORA3PIM2CYP1A2PYGLMAPT | |
| SCHEMBL3163340 | 0.84 | SMN1; SMN2 (0.51) | ADORA3PIM2CYP1A2PYGLMAPT | |
| SCHEMBL3171885 | 0.83 | MAPT (0.48) | ADORA3MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3171874 | 0.83 | MAPT (0.48) | ADORA3MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3173846 | 0.83 | KDM4E (0.40) | ADORA3MAPTMEN1KMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |