Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28008636 | 0.95 | TSHR (0.55) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL530479 | 0.90 | TSHR (0.63) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Propionic Acid SCHEMBL28008601 | 0.87 | TSHR (0.56) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Methacrylic Acid SCHEMBL28011458 | 0.86 | TSHR (0.50) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL28008561 | 0.86 | TSHR (0.51) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL10499859 | 0.85 | TSHR (0.73) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Acrylic Acid Methyl Ester SCHEMBL28023077 | 0.85 | TSHR (0.53) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL350030 | 0.84 | TSHR (0.67) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL11597311 | 0.83 | TSHR (0.55) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Butyric Acid SCHEMBL28009070 | 0.83 | TSHR (0.56) | TSHRALDH1A1CYP3A4HPGDTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104795595-A | Nonaqueous electrolyte solution and electrochemical element using same | UBE INDUSTRIES | 2015-07-22 | — | — | CN | disclosed |
| CN-102498605-B | Nonaqueous electrolyte solution and electrochemical element using same | UBE INDUSTRIES | 2015-05-20 | — | — | CN | disclosed |