Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27573301 | 1.00 | AOC3 (0.50) | AOC3BRD4GABBR2GABBR1CYP2C9 | |
| SCHEMBL29220109 | 0.82 | GABBR2 (0.59) | AOC3BRD4GABBR2GABBR1CYP2C9 | |
| SCHEMBL1503961 | 0.82 | GABBR2 (0.59) | AOC3BRD4GABBR2GABBR1CYP2C9 | |
| SCHEMBL7453255 | 0.82 | STAT3 (0.47) | LMNACYP2C19POLBFFAR1 | |
| SCHEMBL3950248 | 0.80 | AOC3 (0.50) | AOC3BRD4GABBR2GABBR1CYP2C9 | |
| SCHEMBL16897111 | 0.80 | AOC3 (0.50) | AOC3BRD4GABBR2GABBR1CYP2C9 | |
| SCHEMBL28757378 | 0.80 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL5321358 | 0.80 | BRD4 (0.50) | BRD4GABBR2GABBR1CYP2C9LMNA | |
| SCHEMBL3675113 | 0.80 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL8770926 | 0.79 | L3MBTL1 (0.47) | AOC3BRD4GABBR2GABBR1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776371-B | Chiral tridentate ligand of nitrogen-containing heterocyclic propane and preparation method thereof | 北京化工大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-100415703-C | Process for preparing optically active beta-hydroxyketone | UNIV WUHAN (CN) | 2008-09-03 | — | — | CN | disclosed |
| CN-1331835-C | Preparation method of optically active beta-hydroxy ketone | UNIV WUHAN (CN) | 2007-08-15 | — | — | CN | disclosed |
| CN-1827573-A | Process for preparing optically active beta-hydroxyketone | UNIV WUHAN (CN) | 2006-09-06 | — | — | CN | disclosed |
| CN-1785950-A | Preparation method of optically active beta-hydroxy ketone | UNIV WUHAN (CN) | 2006-06-14 | — | — | CN | disclosed |