Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18079552 | 0.83 | AURKA (0.52) | AURKACDK1CDK4CDK2AKT1 | |
| SCHEMBL8591067 | 0.81 | ELANE (0.39) | GSK3AGSK3BKDM4EMAPTPLA2G2A | |
| SCHEMBL9006232 | 0.73 | AURKA (0.50) | AURKACDK1CDK4CDK2AKT1 | |
| SCHEMBL4713601 | 0.72 | BCHE (0.47) | GSK3AGSK3BAURKACDK1CDK4 | |
| SCHEMBL24108922 | 0.72 | KDM4E (0.55) | KDM4ESMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL11705064 | 0.72 | KDM4E (0.66) | AURKAKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL11706523 | 0.71 | MAPT (0.64) | KDM4ESMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL1513055 | 0.71 | CDK4 (0.60) | GSK3AGSK3BCDK4CDK2KDM4E | |
| SCHEMBL9006085 | 0.71 | POLB (0.49) | GSK3BAURKACDK1CDK4CDK2 | |
| SCHEMBL6591973 | 0.70 | GSK3A (0.65) | GSK3AGSK3BKDM4ESMN1; SMN2MAPT |
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-1998049219-A1 | PYRAZOL-BASED ELECTROLUMINESCENT POLYMERS AND THEIR USE IN ELECTROLUMINESCENT DEVICES | THE UNIVERSITY COURT OF NAPIER UNIVERSITY (GB) | 1998-11-05 | — | — | WO | disclosed |