Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7648000 | 0.87 | HPRT1 (0.54) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| SCHEMBL28814531 | 0.86 | HSD17B10 (0.54) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| SCHEMBL1389124 | 0.79 | RXRA (0.44) | HSD17B10ALDH1A1ACHETSHRTDP1 | |
| SCHEMBL251216 | 0.79 | RXRA (0.44) | HSD17B10ALDH1A1ACHETSHRTDP1 | |
| SCHEMBL27661971 | 0.79 | ALDH1A1 (0.48) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| SCHEMBL29470186 | 0.79 | ALDH1A1 (0.54) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| SCHEMBL30363267 | 0.79 | ALDH1A1 (0.54) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| SCHEMBL28083404 | 0.79 | HSD17B10 (0.54) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| SCHEMBL27337712 | 0.79 | HSD17B10 (0.54) | HSD17B10ALDH1A1HPGDCYP1A2THRB | |
| Chrysene SCHEMBL18546560 | 0.77 | HSD17B10 (0.75) | HSD17B10ALDH1A1HPGDCYP1A2THRB |
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-110156566-B | Green and simple preparation method for synthesizing (-) -trans-verbenol and enantiomer (+) -trans-verbenol thereof | 中国林业科学研究院森林生态环境与保护研究所 | 2021-11-19 | — | — | CN | disclosed |