Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SLC9A3 | P48764 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2158302 | 0.75 | TSHR (0.45) | CHRNA7TSHRSLC9A3OPRM1OPRK1 | |
| SCHEMBL3389204 | 0.70 | HTR2A (0.35) | HTR2AHTR2CHRH1 | |
| SCHEMBL4307808 | 0.68 | HTR2A (0.34) | HTR2AHTR2CHRH1 | |
| SCHEMBL458495 | 0.68 | HTR2A (0.35) | OPRM1HTR2AHTR2CHRH1HTR2B | |
| SCHEMBL874497 | 0.68 | HTR2A (0.34) | HTR2AHTR2CHRH1CYP2D6 | |
| SCHEMBL458123 | 0.68 | HTR2A (0.34) | HTR2AHTR2CHRH1 | |
| SCHEMBL6521360 | 0.68 | HTR2A (0.35) | OPRM1HTR2AHTR2CHRH1HTR2B | |
| SCHEMBL455932 | 0.68 | HTR2A (0.34) | OPRM1HTR2AHTR2CHRH1 | |
| SCHEMBL4290508 | 0.68 | HTR2A (0.35) | OPRM1HTR2AHTR2CHRH1HTR2B | |
| SCHEMBL1828684 | 0.68 | TSHR (0.45) | CHRNA7TSHRSLC9A3OPRM1OPRK1 |
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-1995002567-A1 | CATALYTIC ASYMMETRIC REDUCTION OF TRISUBSTITUTED OLEFINS AND ENAMINES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1995-01-26 | — | — | WO | disclosed |