Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.39 |
| ▸ | JAK1 | P23458 | 3/20 | 0.33 |
| ▸ | RARA | P10276 | 3/20 | 0.33 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | RARG | P13631 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.32 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | ADH5 | P11766 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13061700 | 0.98 | HSD17B1 (0.40) | HSD17B1JAK1RARARARBRARG | |
| SCHEMBL13620733 | 0.93 | DCLRE1A (0.41) | HSD17B1TRPA1DCLRE1ADCLRE1BMMP2 | |
| Ammonia Solution, Strong SCHEMBL4604807 | 0.81 | — | — | |
| SCHEMBL9618333 | 0.80 | SMN1; SMN2 (0.47) | HSD17B1DCLRE1ADCLRE1BMMP2MMP3 | |
| Ethylamine SCHEMBL28360153 | 0.76 | DPP4 (0.47) | DCLRE1ADCLRE1BMMP2MMP3BCL2 | |
| SCHEMBL12650461 | 0.74 | HSD17B1 (0.40) | HSD17B1RARBHAO1BCL2 | |
| SCHEMBL13061701 | 0.74 | CYP2A6 (0.47) | MMP3 | |
| SCHEMBL16807145 | 0.74 | EGFR (0.41) | HSD17B1BCL2 | |
| SCHEMBL14173107 | 0.73 | HSD17B1 (0.54) | HSD17B1JAK1JAK2TYK2JAK3 | |
| SCHEMBL21115988 | 0.73 | HSD17B1 (0.54) | HSD17B1MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009143328-A2 | ON WIRE LITHOGRAPHY-BASED MOLECULAR TRANSPORT JUNCTIONS | NORTHWESTERN UNIVERSITY (US) | 2009-11-26 | — | — | WO | disclosed |