Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153032 | 0.93 | TYR (0.37) | TYRALDH1A1MAPK1CYP3A4TSHR | |
| SCHEMBL20152909 | 0.91 | CYP3A4 (0.36) | ESR1TAAR1TYRALDH1A1CYP3A4 | |
| SCHEMBL20153023 | 0.83 | HSD17B10 (0.34) | ESR1ESR2ALDH1A1CYP3A4TSHR | |
| SCHEMBL20152998 | 0.83 | SLC13A5 (0.40) | TAAR1ALDH1A1RECQLBACE1 | |
| SCHEMBL20152935 | 0.80 | TYR (0.48) | ESR1ESR2TYRALDH1A1CYP3A4 | |
| SCHEMBL20152874 | 0.79 | ESR2 (0.48) | ESR1ESR2ALDH1A1BACE1 | |
| SCHEMBL20153026 | 0.76 | CYP3A4 (0.38) | ESR1ESR2TAAR1TYRCYP3A4 | |
| SCHEMBL20152924 | 0.75 | CHRNA7 (0.42) | ALDH1A1MAPK1 | |
| SCHEMBL20153028 | 0.74 | TYR (0.33) | TYRALDH1A1CYP3A4TSHR | |
| SCHEMBL20152910 | 0.74 | MAOB (0.43) | TAAR1ALDH1A1RECQLBACE1 |
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 |