Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL595335 | 0.93 | GABRA1 (0.48) | GABRA1GABRB2CD44CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL22346502 | 0.91 | GABRA1 (0.46) | GABRA1GABRB2CD44CYP3A4TSHR | |
| Dimethylamine SCHEMBL9706131 | 0.87 | GABRA1 (0.43) | GABRA1GABRB2CD44CYP3A4TSHR | |
| SCHEMBL262868 | 0.81 | GABRA1 (0.55) | GABRA1GABRB2CD44PDK2ELANE | |
| SCHEMBL1332031 | 0.81 | GABRA1 (0.55) | GABRA1GABRB2CD44PDK2ELANE | |
| Hydrochloric Acid SCHEMBL625383 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2PDK2ELANEATP4A | |
| SCHEMBL28967677 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2CD44PDK2ELANE | |
| SCHEMBL30319989 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2CD44PDK2ELANE | |
| Methane SCHEMBL28083182 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2PDK2ELANEATP4A | |
| Propane SCHEMBL27547406 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2CD44PDK2ELANE |
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-111032008-A | Method for dyeing keratin materials using at least one blue, violet or green dye and at least one disulfide, thiol or protected thiol fluorescent dye | 莱雅公司 | 2020-04-17 | — | — | CN | disclosed |