Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | PDE2A | O00408 | 6/20 | 0.33 |
| ▸ | GRB2 | P62993 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7670360 | 0.80 | ESR1 (0.38) | ESR1ESR2CYP1A2CYP2C19TAAR1 | |
| SCHEMBL12050478 | 0.77 | IDO1 (0.47) | PDE2ACYP2D6 | |
| SCHEMBL10570 | 0.75 | ALDH1A1 (0.52) | TAAR1 | |
| SCHEMBL22423075 | 0.75 | PDE2A (0.36) | ESR1ESR2PDE2AHSD17B2CYP1A2 | |
| SCHEMBL18103202 | 0.74 | PTPN5 (0.42) | ESR1ESR2PDE2AHSD17B2CYP2C19 | |
| SCHEMBL34471882 | 0.74 | TAAR1 (0.55) | TAAR1SLC6A2HTR2ASLC6A4HTR2B | |
| SCHEMBL3888293 | 0.73 | LOXL2 (0.55) | TAAR1 | |
| SCHEMBL8911483 | 0.72 | PDE2A (0.34) | ESR1ESR2PDE2AHSD17B2 | |
| SCHEMBL18358078 | 0.72 | TSHR (0.42) | ESR1ESR2PDE2AGRB2HSD17B2 | |
| SCHEMBL20382684 | 0.71 | PDE2A (0.36) | ESR1ESR2PDE2AHSD17B2CYP2C19 |
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-2021003295-A1 | MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2021-01-07 | — | — | WO | disclosed |