Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.34 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19860763 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL4906709 | 0.81 | KMT2A (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL460924 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL903004 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL7612005 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL3430840 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL35470 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL35505 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL35674 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL36167 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100355949-C | Protein crystallization device, protein crystallization method, protein crystallization agent and preparation method thereof | MITSUBISHI RAYON CO (JP) | 2007-12-19 | — | — | CN | disclosed |
| CN-101029078-A | Gel used for protein crystalling | MITSUBISHI RAYON CO (JP) | 2007-09-05 | — | — | CN | disclosed |
| CN-1863946-A | Protein crystallization device, protein crystallization method, protein crystallization agent and preparation method thereof | MITSUBISHI RAYON CO (JP) | 2006-11-15 | — | — | CN | disclosed |
| US-5382665-A | Synthesis of oxazolines and oxazines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1995-01-17 | — | — | US | disclosed |