Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.52 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 10/20 | 0.51 |
| ▸ | CNR1 | P21554 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | S100B | P04271 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL43704 | 0.95 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| Fluoride SCHEMBL11231084 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| SCHEMBL21065779 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| SCHEMBL28189887 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| Lithium Ion SCHEMBL19732783 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| Alcohol SCHEMBL9810838 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| SCHEMBL4402947 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| SCHEMBL12144229 | 0.84 | CNR2 (0.56) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| Bicarbonate SCHEMBL11138673 | 0.84 | CNR2 (0.56) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 | |
| SCHEMBL15488866 | 0.84 | CNR2 (0.56) | ALDH1A1TSHRMAPK1PSMD14CYP3A4 |
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-110156631-A | A kind of continuous flow preparation method of 2,6- diethyl -4- methylaniline diazonium salt | 利尔化学股份有限公司 | 2019-08-23 | — | — | CN | claimed |
| CN-110156631-A | A kind of continuous flow preparation method of 2,6- diethyl -4- methylaniline diazonium salt | 利尔化学股份有限公司 | 2019-08-23 | — | — | CN | disclosed |