Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 3/20 | 0.59 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 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 | |
|---|---|---|---|---|
| SCHEMBL1503961 | 1.00 | GABBR2 (0.59) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL3520190 | 0.83 | GABBR2 (0.63) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL3950248 | 0.82 | AOC3 (0.50) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL16897111 | 0.82 | AOC3 (0.50) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL27573301 | 0.82 | AOC3 (0.50) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL27573299 | 0.82 | AOC3 (0.50) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL5864212 | 0.81 | TAAR1 (0.54) | CYP2C9LMNACYP2D6CYP2C19CYP3A4 | |
| SCHEMBL4483465 | 0.81 | TAAR1 (0.54) | CYP2C9LMNACYP2D6CYP2C19CYP3A4 | |
| SCHEMBL4483463 | 0.81 | TAAR1 (0.54) | CYP2C9LMNACYP2D6CYP2C19CYP3A4 | |
| SCHEMBL391659 | 0.81 | GABBR2 (0.79) | GABBR2GABBR1CYP2C9KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-118108598-A | Method for synthesizing chiral beta-hydroxy carboxylic ester by catalysis of ruthenium complex | 中国科学院大连化学物理研究所 | 2024-05-31 | — | — | CN | disclosed |