Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18755234 | 1.00 | ESR1 (0.47) | ESR1ESR2MTNR1ASMYD3DRD2 | |
| SCHEMBL28470501 | 0.83 | ESR1 (0.50) | ESR1ESR2MTNR1ASMYD3ALDH1A1 | |
| SCHEMBL26799424 | 0.83 | ESR1 (0.50) | ESR1ESR2MTNR1ASMYD3ALDH1A1 | |
| SCHEMBL28462828 | 0.82 | MEN1 (0.44) | ESR1ESR2MTNR1ADRD2HTR2A | |
| SCHEMBL28462826 | 0.82 | MEN1 (0.44) | ESR1ESR2MTNR1ADRD2HTR2A | |
| SCHEMBL28467773 | 0.80 | ESR1 (0.48) | ESR1ESR2MTNR1ASMYD3DRD2 | |
| SCHEMBL28467771 | 0.80 | ESR1 (0.48) | ESR1ESR2MTNR1ASMYD3DRD2 | |
| SCHEMBL13306192 | 0.79 | ESR1 (0.51) | ESR1ESR2MTNR1ASMYD3GAA | |
| SCHEMBL5051433 | 0.79 | ESR1 (0.51) | ESR1ESR2MTNR1ASMYD3GAA | |
| SCHEMBL13784817 | 0.79 | ESR1 (0.51) | ESR1ESR2MTNR1ASMYD3GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111793023-B | One-pot biomimetic synthesis of chiral tetrahydroquinoline compound | 中国科学院大连化学物理研究所 | 2021-08-31 | — | — | CN | disclosed |
| CN-111793023-A | One-pot biomimetic synthesis of chiral tetrahydroquinoline compound | 中国科学院大连化学物理研究所 | 2020-10-20 | — | — | CN | disclosed |