Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11328891 | 0.91 | STAT3 (0.39) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL28489793 | 0.90 | STAT3 (0.38) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL11313167 | 0.90 | STAT3 (0.38) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL11315720 | 0.90 | STAT3 (0.38) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL11568376 | 0.90 | STAT3 (0.38) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL28513504 | 0.90 | STAT3 (0.38) | GSK3BCDK5CDK5R1KDM4EALPL | |
| Phenanthrene SCHEMBL28319018 | 0.87 | ALDH1A1 (0.46) | KDM4ESTAT3STAT1CYP1A2CYP3A4 | |
| Triphenylene SCHEMBL28084435 | 0.85 | STAT3 (0.44) | KDM4EGAASTAT3STAT1CYP1A2 | |
| O-Xylene SCHEMBL28139724 | 0.85 | ALDH1A1 (0.36) | GSK3BCDK5CDK5R1KDM4EGAA | |
| SCHEMBL11313161 | 0.85 | STAT3 (0.37) | GSK3BCDK5CDK5R1PI4KAPI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| US-5358860-A | Using peroxide substrate as oxidant | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1994-10-25 | — | — | US | disclosed |