Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.39 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.39 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 7/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.35 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL626803 | 0.89 | PARP1 (0.40) | KDM5AKDM4CKDM5BTRPV4PDE9A | |
| SCHEMBL16908716 | 0.86 | ALOX15 (0.42) | KDM4CALOX15KEAP1NFE2L2PTPN1 | |
| SCHEMBL27758267 | 0.83 | ALOX15 (0.41) | KDM5AKDM4CKDM5BALOX15KEAP1 | |
| SCHEMBL27758276 | 0.83 | ALOX15 (0.41) | KDM5AKDM4CKDM5BALOX15KEAP1 | |
| SCHEMBL27737776 | 0.82 | HSD11B1 (0.40) | KDM5AKDM4CKDM5BALOX15KEAP1 | |
| SCHEMBL22042843 | 0.81 | LMNA (0.52) | ALOX15ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL27737629 | 0.81 | ALOX15 (0.39) | ALOX15RETKEAP1NFE2L2PTPN1 | |
| SCHEMBL27758250 | 0.81 | ALOX15 (0.39) | ALOX15RETKEAP1NFE2L2PTPN1 | |
| SCHEMBL27737627 | 0.81 | ALOX15 (0.39) | ALOX15RETKEAP1NFE2L2PTPN1 | |
| SCHEMBL567437 | 0.76 | KDM5A (0.47) | KDM5AKDM4CKDM5BTEAD1TEAD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541849-B | The ketone derivatives of the dihydro-pyrazolo of 6 cycloalkyl 1,5 [3,4 d] pyrimidine 4 and its purposes as PDE9A inhibitor | 勃林格殷格翰国际有限公司 | 2018-03-23 | — | — | CN | disclosed |