Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | HCK | P08631 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27612727 | 0.86 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BPIK3CDABL1 | |
| SCHEMBL28753644 | 0.81 | ADORA1 (0.49) | ADORA2AADORA1ADORA2BCHUK | |
| SCHEMBL28753638 | 0.80 | ADORA1 (0.59) | ADORA2AADORA1ADORA2BPIK3CDABL1 | |
| SCHEMBL27631687 | 0.80 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BPIK3CDABL1 | |
| SCHEMBL26795972 | 0.79 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BDHFRCLK4 | |
| Hydrochloric Acid SCHEMBL27631852 | 0.78 | ADORA2A (0.44) | ADORA2AADORA1ADORA2BPIK3CDABL1 | |
| SCHEMBL4419371 | 0.77 | HRH2 (0.47) | ADORA2AADORA1ADORA2BPIK3CDABL1 | |
| SCHEMBL19932545 | 0.77 | ADORA2A (0.43) | ADORA2AADORA1ADORA2BPIK3CDABL1 | |
| SCHEMBL4411196 | 0.77 | RAB9A (0.56) | ADORA2AADORA1ADORA2BSRCPIK3CG | |
| SCHEMBL1116418 | 0.77 | PIK3CG (0.60) | ADORA2AADORA1ADORA2BPIK3CDABL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |