Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL51094 | 0.85 | ALDH1A1 (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL51009 | 0.82 | ALDH1A1 (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3979928 | 0.79 | TYR (0.49) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3322503 | 0.77 | CYP2C9 (0.45) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1345100 | 0.77 | TSHR (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1345031 | 0.77 | TSHR (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1345505 | 0.77 | TSHR (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1345095 | 0.77 | TSHR (0.50) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6065994 | 0.76 | CYP3A4 (0.73) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL51106 | 0.76 | GABRA1 (0.52) | TSHRCYP3A4ALDH1A1TDP1HPGD |
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-109796476-A | Magnesiumaryloxy compounds, preparation method and ring-opening polymerization catalyst and application | 吉林农业大学 | 2019-05-24 | — | — | CN | disclosed |