Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28474212 | 0.72 | PTPN11 (0.43) | DHFRHRH4KDM4EALDH1A1POLB | |
| SCHEMBL6661385 | 0.70 | DHFR (0.33) | DHFR | |
| SCHEMBL27948447 | 0.69 | KHK (0.44) | KDM4EALDH1A1POLB | |
| SCHEMBL7247622 | 0.68 | BCL6 (0.38) | DHFR | |
| SCHEMBL7944560 | 0.66 | ADORA1 (0.33) | DHFR | |
| SCHEMBL22485149 | 0.62 | MEN1 (0.52) | KDM4EALDH1A1POLB | |
| SCHEMBL27932742 | 0.62 | RPS6KA3 (0.48) | KDM4EHSP90AB1 | |
| SCHEMBL8133822 | 0.61 | CTSK (0.51) | KDM4EALDH1A1POLBPTPN11KDR | |
| SCHEMBL23450302 | 0.61 | NUDT1 (0.35) | NUDT1 | |
| SCHEMBL13788323 | 0.60 | HRH4 (0.67) | HRH4KDM4EALDH1A1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111892580-B | 2-amino-4- (isoindoline-2-yl) pyrimidine-5-formamide derivative, preparation method and application | 北京鑫开元医药科技有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-111892580-B | 2-amino-4- (isoindoline-2-yl) pyrimidine-5-formamide derivative, preparation method and application | 北京鑫开元医药科技有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-111892580-B | 2-amino-4- (isoindoline-2-yl) pyrimidine-5-formamide derivative, preparation method and application | 北京鑫开元医药科技有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-111892580-A | 2-amino-4- (isoindoline-2-yl) pyrimidine-5-formamide derivative, preparation method and application | 北京鑫开元医药科技有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-111892580-A | 2-amino-4- (isoindoline-2-yl) pyrimidine-5-formamide derivative, preparation method and application | 北京鑫开元医药科技有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-111892580-A | 2-amino-4- (isoindoline-2-yl) pyrimidine-5-formamide derivative, preparation method and application | 北京鑫开元医药科技有限公司 | 2020-11-06 | — | — | CN | disclosed |