Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | KHK | P50053 | 7/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL3607574 | 0.81 | KHK (0.42) | ESR1KHKMAPK14 | |
| SCHEMBL14032596 | 0.77 | KHK (0.42) | KHKMAPK14MAPK8MAPK9MAPK10 | |
| SCHEMBL3604982 | 0.77 | PTGS2 (0.41) | KHKMAPK14CYP2C9NT5EKDM5A | |
| SCHEMBL8268988 | 0.77 | KHK (0.41) | KHKMAPK14LMNAMAPTTSHR | |
| SCHEMBL3607929 | 0.77 | PTGS2 (0.38) | KHKCYP2C9NT5EKDM5AKDM4C | |
| SCHEMBL3606919 | 0.76 | RARG (0.44) | KHKMAPK14SLC22A12KDM5AKDM4C | |
| SCHEMBL3609481 | 0.75 | PTGS2 (0.44) | KHKNT5EKDM5AKDM4CKDM5B | |
| SCHEMBL3609488 | 0.75 | KDM5A (0.39) | KHKCYP2C9NT5EKDM5AKDM4C | |
| SCHEMBL3602376 | 0.74 | PTGS2 (0.41) | KHKMAPK14CYP2C9NT5EKDM5A | |
| SCHEMBL3607017 | 0.73 | PTGS2 (0.40) | KHKCYP2C9NT5EKDM5AKDM4C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006044528-A1 | PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS | MEMORY PHARMACEUTICALS CORPORATION (US) | 2006-04-27 | — | — | WO | disclosed |