Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 4/20 | 0.39 |
| ▸ | CCND1 | P24385 | 4/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAPDH | P04406 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | ILK | Q13418 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8640524 | 0.80 | CCNE2 (0.38) | CYP1A2GSK3BCDK4CCND1CCNE2 | |
| SCHEMBL9274671 | 0.80 | KMT2A (0.39) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8606259 | 0.80 | PTGS2 (0.52) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8926499 | 0.79 | CCNE2 (0.35) | CYP1A2GSK3BCDK4CCND1CCNE2 | |
| SCHEMBL6441245 | 0.75 | MAPT (0.45) | CYP1A1CYP1A2CYP1B1GSK3BKMT2A | |
| SCHEMBL8195871 | 0.72 | HTT (0.39) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL16146442 | 0.70 | CYP1A1 (0.67) | CYP1A1CYP1A2CYP1B1GSK3BKDM4E | |
| SCHEMBL11986269 | 0.68 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1GSK3BKDM4E | |
| SCHEMBL1145983 | 0.68 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1GSK3BKDM4E | |
| SCHEMBL8640607 | 0.67 | MAPK1 (0.73) | KMT2AKDM4EGAAILKALDH1A1 |
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-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |