Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30467206 | 1.00 | NR1H2 (0.56) | NR1H2NR1H3SIGMAR1OPRM1OPRD1 | |
| SCHEMBL2733711 | 0.83 | NR1H2 (0.52) | NR1H2NR1H3SIGMAR1OPRM1HSD11B1 | |
| SCHEMBL2733709 | 0.83 | NR1H2 (0.52) | NR1H2NR1H3SIGMAR1OPRM1HSD11B1 | |
| SCHEMBL30668922 | 0.83 | NR1H2 (0.52) | NR1H2NR1H3SIGMAR1OPRM1HSD11B1 | |
| SCHEMBL29137541 | 0.82 | NR1H2 (0.56) | NR1H2NR1H3SIGMAR1OPRM1OPRD1 | |
| SCHEMBL29137544 | 0.82 | NR1H2 (0.56) | NR1H2NR1H3SIGMAR1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL29256930 | 0.82 | NR1H2 (0.51) | NR1H2NR1H3SIGMAR1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL29256931 | 0.82 | NR1H2 (0.51) | NR1H2NR1H3SIGMAR1OPRM1OPRD1 | |
| SCHEMBL31148509 | 0.81 | NR1H2 (0.50) | NR1H2NR1H3SIGMAR1OPRM1OPRD1 | |
| SCHEMBL2190192 | 0.70 | CFB (0.36) | NR1H2NR1H3SIGMAR1OPRM1SLC6A4 |
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-102911215-A | Organic phosphorus pharmaceutical intermediate | LI CHENLIANG | 2013-02-06 | — | — | CN | disclosed |