Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15113200 | 0.74 | CYP2A6 (0.41) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL28800621 | 0.74 | ADORA2A (0.44) | HSP90AA1ADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL12469888 | 0.73 | IRAK4 (0.52) | IRAK4DHFRALDH1A1TSHRHSD17B10 | |
| SCHEMBL23931336 | 0.70 | KDM4E (0.54) | ADORA2AADORA1DHFRALDH1A1TSHR | |
| SCHEMBL3826251 | 0.70 | DYRK1A (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL23931362 | 0.70 | FGFR1 (0.43) | DHFRCYP2A6 | |
| SCHEMBL5157931 | 0.69 | ALDH1A1 (0.43) | HSP90AA1IRAK4ADORA2AADORA1ALDH1A1 | |
| SCHEMBL6003629 | 0.69 | ADORA2A (0.46) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL5064948 | 0.69 | ADORA2A (0.40) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL2335843 | 0.69 | NOS1 (0.44) | ADORA2AADORA1DHFRNOS1 |
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-107903256-B | A kind of 2,4- di-amino-pyrimidine and its application containing substituted thiazole | 南方医科大学 | 2019-11-15 | — | — | CN | claimed |
| CN-107903256-B | A kind of 2,4- di-amino-pyrimidine and its application containing substituted thiazole | 南方医科大学 | 2019-11-15 | — | — | CN | disclosed |
| CN-107903256-A | A kind of 2,4 di-amino-pyrimidines and its application containing substituted thiazole | 南方医科大学 | 2018-04-13 | — | — | CN | disclosed |