Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.43 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388613 | 1.00 | DHFR (0.53) | DHFRKMT2ACCNT1CCNA2CDK2 | |
| SCHEMBL1389085 | 0.82 | DHFR (0.59) | DHFRKCNH2SCN10A | |
| SCHEMBL29655604 | 0.82 | DHFR (0.59) | DHFRKCNH2SCN10A | |
| SCHEMBL30488020 | 0.79 | KMT2A (0.73) | DHFRKMT2ATP53MAPTTSHR | |
| SCHEMBL264291 | 0.79 | KMT2A (0.73) | DHFRKMT2ATP53MAPTTSHR | |
| SCHEMBL29655508 | 0.79 | DHFR (0.55) | DHFR | |
| SCHEMBL1388289 | 0.79 | DHFR (0.55) | DHFR | |
| SCHEMBL1033888 | 0.78 | GABBR2 (0.51) | DHFRKMT2ACCNT1CCNA2CDK2 | |
| SCHEMBL1333400 | 0.78 | ABL1 (0.53) | CCNT1CCNA2CDK2CDK9SCN1A | |
| SCHEMBL30047963 | 0.78 | DGAT1 (0.56) | KMT2ASCN1AKCNH2SCN5ASCN9A |
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 |