Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 5/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 5/20 | 0.41 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ASPH | Q12797 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18493829 | 0.82 | BCAT1 (0.54) | PTGES2PTPN2PTPN1PTPN5BCAT1 | |
| SCHEMBL29236416 | 0.77 | CA2 (0.49) | BCAT1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28279168 | 0.76 | KMT2A (0.49) | PTPN1NPC1RAB9APKMKDM4E | |
| SCHEMBL14160374 | 0.70 | MCL1 (0.51) | PTGES2MCL1HDAC3BRD4ESR1 | |
| SCHEMBL1649827 | 0.70 | CA2 (0.47) | KDM4ESMN1; SMN2CA2 | |
| SCHEMBL26230217 | 0.67 | MCL1 (0.40) | MCL1HDAC3BRD4ESR1PTGS1 | |
| SCHEMBL6254180 | 0.67 | LMNA (0.48) | MCL1HTR6HDAC8NPC1RAB9A | |
| SCHEMBL8764610 | 0.66 | CCR2 (0.44) | PTPN1NPC1RAB9ASMN1; SMN2CA2 | |
| SCHEMBL19617682 | 0.65 | SCN9A (0.46) | MCL1 | |
| SCHEMBL26230041 | 0.64 | CA2 (0.40) | MCL1HDAC3BRD4ESR1PTGS1 |
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-116589472-A | Benzofuran [3,2-d ] pyrimidine-2-amine compound and preparation method and application thereof | 郑州大学 | 2023-08-15 | — | — | CN | claimed |
| CN-116589472-A | Benzofuran [3,2-d ] pyrimidine-2-amine compound and preparation method and application thereof | 郑州大学 | 2023-08-15 | — | — | CN | disclosed |