Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.39 |
| ▸ | ASPH | Q12797 | 3/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 3/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | AGER | Q15109 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Crotonaldehyde SCHEMBL10573246 | 1.00 | KDM4E (0.39) | KDM4EASPHKDM8MYCMAPT | |
| SCHEMBL9684174 | 0.85 | KDM4E (0.50) | KDM4EASPHKDM8MYCMAPT | |
| SCHEMBL30049082 | 0.85 | KDM4E (0.50) | KDM4EASPHKDM8MYCMAPT | |
| SCHEMBL28582520 | 0.84 | KDM4E (0.48) | KDM4EASPHKDM8MYCMAPT | |
| Cyclopropane SCHEMBL11660772 | 0.80 | KDM4E (0.46) | KDM4EASPHKDM8MYCMAPT | |
| SCHEMBL6578250 | 0.75 | KDM4E (0.43) | KDM4EASPHKDM8MYCMAPT | |
| SCHEMBL353204 | 0.73 | KDM4E (0.40) | KDM4EASPHKDM8MAPTALDH1A1 | |
| SCHEMBL9837598 | 0.71 | KDM4E (0.45) | KDM4EASPHKDM8MAPTALDH1A1 | |
| SCHEMBL9504653 | 0.71 | KDM4E (0.39) | KDM4EASPHKDM8MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL4249059 | 0.71 | KDM4E (0.39) | KDM4EASPHKDM8ALDH1A1L3MBTL1 |
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-4871859-A | REACTING KETOESTER WITH UNSATURATED ALDEHYDE OR KETONE AND AMMONIUM SALT IN SOLVENT AND DEHYDROGENATION CATALYST | HOECHST CELANESE CORPORATION | 1989-10-03 | — | — | US | disclosed |