Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL264739 | 0.81 | ADORA2A (0.58) | ADORA2AADORA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28043769 | 0.81 | DHFR (0.54) | ADORA2AADORA1TLR8DPP4DHFR | |
| SCHEMBL16703412 | 0.80 | HEXA (0.51) | TLR8CYP2D6DPP4HEXAHEXB | |
| Hydrochloric Acid SCHEMBL20421687 | 0.77 | TLR8 (0.48) | TLR8CYP2D6DHFR | |
| SCHEMBL28267182 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1TLR8CYP1A2CYP3A4 | |
| SCHEMBL12137690 | 0.76 | CYP1A2 (0.56) | ADORA2AADORA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1357943 | 0.76 | ADORA2A (0.58) | ADORA2AADORA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12137475 | 0.75 | ADORA2A (0.64) | ADORA2AADORA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28043944 | 0.74 | HEXA (0.50) | ADORA2AADORA1TLR8CYP2D6HEXA | |
| SCHEMBL1358006 | 0.74 | ADORA2A (0.56) | ADORA2AADORA1CYP1A2CYP3A4CYP2D6 |
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 |