Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | HBB | P68871 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3165012 | 0.95 | ADORA2A (0.59) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3171317 | 0.94 | ADORA2A (0.58) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3259471 | 0.92 | ADORA2A (0.53) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3262586 | 0.92 | ADORA2A (0.56) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3172948 | 0.92 | ADORA2A (0.55) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3172266 | 0.91 | CYP1A2 (0.56) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3162050 | 0.90 | ADORA2A (0.72) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3164662 | 0.88 | ADORA2A (0.64) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3155823 | 0.88 | ADORA2A (0.64) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3165164 | 0.88 | CYP1A2 (0.63) | ADORA2AADORA1ALDH1A1CYP1A2CYP3A4 |
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 |