Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.72 |
| ▸ | DHFR | P00374 | 6/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1388662 | 1.00 | ADORA2A (0.72) | ADORA2AADORA1DHFRCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27752359 | 0.98 | ADORA2A (0.71) | ADORA2AADORA1DHFRCYP1A2CYP3A4 | |
| SCHEMBL5327094 | 0.85 | ADORA1 (0.69) | ADORA2AADORA1DHFRCCNT1CCNA2 | |
| SCHEMBL1388479 | 0.84 | ADORA2A (0.51) | ADORA2AADORA1DHFRCYP1A2IKBKB | |
| SCHEMBL1388289 | 0.81 | DHFR (0.55) | ADORA2AADORA1DHFR | |
| SCHEMBL29655508 | 0.81 | DHFR (0.55) | ADORA2AADORA1DHFR | |
| SCHEMBL27612726 | 0.80 | ADORA2A (0.48) | ADORA2AADORA1DHFRCYP1A2KDM4E | |
| SCHEMBL1388331 | 0.80 | DHFR (0.67) | ADORA2AADORA1DHFRCCNT1CCNA2 | |
| SCHEMBL1388358 | 0.79 | DHFR (0.71) | ADORA2AADORA1DHFR | |
| SCHEMBL30401146 | 0.79 | DHFR (0.71) | ADORA2AADORA1DHFR |
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 2 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-114621206-A | 5-substituted pyrimidinediamine derivative and preparation method and application thereof | 安徽医科大学 | 2022-06-14 | — | — | CN | disclosed |