Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23432940 | 0.88 | GSTP1 (0.52) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL9507935 | 0.82 | GSTP1 (0.53) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL29143202 | 0.80 | SLC6A2 (0.41) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL21794264 | 0.77 | TSHR (0.46) | HDAC4HDAC2HDAC8TSHRPTGS2 | |
| SCHEMBL30491158 | 0.76 | GSTP1 (0.70) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL28508645 | 0.76 | GSTP1 (0.70) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL29006818 | 0.76 | HDAC4 (0.46) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL598168 | 0.75 | HDAC4 (0.72) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL30335758 | 0.75 | HDAC4 (0.72) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL3176171 | 0.74 | GSTP1 (0.61) | GSTP1HDAC4HDAC2HDAC8SLC6A2 |
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-107188781-A | A kind of method that isopulegol is prepared by citronellal | 万华化学集团股份有限公司 | 2017-09-22 | — | — | CN | disclosed |