Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152945 | 0.82 | ESR2 (0.51) | HSD17B1FFAR4FFAR1ESR2BACE1 | |
| SCHEMBL8229996 | 0.82 | JAK1 (0.47) | HSD17B1ESR1ESR2CA12CA9 | |
| SCHEMBL20153008 | 0.78 | BACE1 (0.44) | HSD17B1FFAR4FFAR1SLC5A1SLC5A2 | |
| SCHEMBL20152889 | 0.76 | ALOX5 (0.48) | FFAR4FFAR1ESR2HSD17B10 | |
| SCHEMBL20152915 | 0.76 | NPSR1 (0.47) | — | |
| SCHEMBL10621853 | 0.75 | ESR2 (0.37) | HSD17B1FFAR4FFAR1ESR1ESR2 | |
| SCHEMBL10619397 | 0.75 | ESR2 (0.37) | HSD17B1FFAR4FFAR1ESR1ESR2 | |
| SCHEMBL20152939 | 0.75 | ESR2 (0.37) | HSD17B1FFAR4FFAR1ESR1ESR2 | |
| SCHEMBL10619548 | 0.75 | ESR2 (0.37) | HSD17B1FFAR4FFAR1ESR1ESR2 | |
| SCHEMBL10624276 | 0.75 | ESR2 (0.37) | HSD17B1FFAR4FFAR1ESR1ESR2 |
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 |