Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.53 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.53 |
| ▸ | CLK1 | P49759 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | HEXA | P06865 | 1/20 | 0.48 |
| ▸ | HEXB | P07686 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL1388289 | 1.00 | DHFR (0.55) | DHFRCDK5CDK5R1CLK1ADORA2A | |
| SCHEMBL30584612 | 0.89 | DHFR (0.49) | DHFRCDK5CDK5R1CLK1ADORA2A | |
| SCHEMBL1388479 | 0.83 | ADORA2A (0.51) | DHFRADORA2AADORA1 | |
| SCHEMBL29655536 | 0.81 | ADORA2A (0.72) | DHFRADORA2AADORA1 | |
| SCHEMBL1388662 | 0.81 | ADORA2A (0.72) | DHFRADORA2AADORA1 | |
| SCHEMBL4629601 | 0.80 | ADORA1 (0.63) | DHFRADORA2AADORA1MAP4K4 | |
| SCHEMBL30488033 | 0.80 | ADORA1 (0.63) | DHFRADORA2AADORA1MAP4K4 | |
| Hydrochloric Acid SCHEMBL27752359 | 0.80 | ADORA2A (0.71) | DHFRADORA2AADORA1 | |
| SCHEMBL31612551 | 0.80 | DHFR (0.61) | DHFRADORA2AADORA1 | |
| SCHEMBL29116207 | 0.80 | DHFR (0.61) | DHFRADORA2AADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621206-B | 5-substituted pyrimidine diamine derivative and preparation method and application thereof | 安徽医科大学 | 2023-11-24 | — | — | CN | disclosed |
| CN-116685583-A | Pyrimidine compounds, compositions and pharmaceutical uses thereof | 缆图药品公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-114621206-A | 5-substituted pyrimidinediamine derivative and preparation method and application thereof | 安徽医科大学 | 2022-06-14 | — | — | CN | disclosed |