Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.51 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043971 | 0.83 | HEXA (0.55) | DHFRADORA2AADORA1DPP4TLR8 | |
| SCHEMBL28043777 | 0.81 | ADORA2A (0.51) | DHFRADORA2AADORA1DPP4TLR8 | |
| Hydrochloric Acid SCHEMBL20421687 | 0.80 | TLR8 (0.48) | DHFRTLR8 | |
| SCHEMBL22139488 | 0.78 | DHFR (0.54) | DHFRADORA2AADORA1ADORA2B | |
| SCHEMBL28043715 | 0.77 | CYP2D6 (0.52) | DHFR | |
| SCHEMBL28043944 | 0.77 | HEXA (0.50) | DHFRADORA2AADORA1TLR8 | |
| SCHEMBL29913459 | 0.76 | DHFR (0.74) | DHFR | |
| SCHEMBL12495851 | 0.75 | TLR8 (0.60) | DHFRADORA2AADORA1ADORA2BTLR8 | |
| SCHEMBL12495846 | 0.74 | TLR8 (0.54) | DHFRADORA2AADORA1TLR8 | |
| SCHEMBL4418415 | 0.74 | ADORA2A (0.59) | DHFRADORA2AADORA1ADORA2BDPP4 |
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-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |