Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.64 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.59 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.57 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.57 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.57 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | CTSD | P07339 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4522260 | 0.92 | HSD17B10 (0.76) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL1344559 | 0.84 | HSD17B10 (0.76) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL11458656 | 0.84 | HSD17B10 (0.76) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL11441141 | 0.84 | HSD17B10 (0.76) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL28583726 | 0.84 | HSD17B10 (0.76) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL10788836 | 0.83 | HSD17B10 (0.70) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL17691541 | 0.82 | MAPT (0.71) | HSD17B10CYP1A2HDAC6TRPV1CYP3A4 | |
| SCHEMBL25423911 | 0.81 | HSD17B10 (0.72) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| SCHEMBL7040103 | 0.80 | HDAC6 (0.78) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 | |
| Piperic Acid SCHEMBL11460093 | 0.79 | HSD17B10 (1.00) | HSD17B10CYP1A2HDAC6GABRA1GABRB2 |
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-105682650-B | Methods and compositions for treating withdrawal syndrome using non-sedating dexmedetomidine transdermal compositions | 帝国制药美国公司 | 2020-09-25 | — | — | CN | disclosed |