Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152915 | 0.85 | NPSR1 (0.47) | NPSR1 | |
| SCHEMBL20152889 | 0.83 | ALOX5 (0.48) | ESR2ALOX5PTGER1PTGER4PTGER3 | |
| SCHEMBL20153022 | 0.82 | HSD17B1 (0.43) | ESR2HCAR2HSD17B1BACE1FFAR1 | |
| SCHEMBL15959119 | 0.81 | ESR2 (0.56) | ESR2HCAR2PTGER1PTGER4PTGER3 | |
| SCHEMBL20152941 | 0.80 | NPSR1 (0.47) | ESR2ALOX5PTGER1PTGER4PTGER3 | |
| SCHEMBL2860952 | 0.78 | ALOX5 (0.63) | ESR2ALOX5CYP26A1BACE1 | |
| SCHEMBL20152874 | 0.77 | ESR2 (0.48) | ESR2ALOX5HCAR2CYP26A1BACE1 | |
| SCHEMBL28910439 | 0.77 | IAPP (0.50) | NPSR1 | |
| SCHEMBL20152975 | 0.77 | NPSR1 (0.40) | NPSR1BACE1FFAR1FFAR4 | |
| SCHEMBL20152924 | 0.77 | CHRNA7 (0.42) | NPSR1 |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |