Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 19/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 19/20 | 0.34 |
| ▸ | TACR1 | P25103 | 18/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 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 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL3937267 | 0.87 | TACR1 (0.34) | SLC6A4KCNH2TACR1DGAT1 | |
| SCHEMBL3936796 | 0.86 | TACR1 (0.41) | SLC6A4KCNH2TACR1DGAT1 | |
| SCHEMBL3934661 | 0.80 | TACR1 (0.35) | SLC6A4KCNH2TACR1 | |
| SCHEMBL3925634 | 0.79 | TACR1 (0.34) | SLC6A4KCNH2TACR1 | |
| SCHEMBL4169137 | 0.78 | TACR1 (0.43) | SLC6A4KCNH2TACR1 | |
| SCHEMBL3938855 | 0.78 | TACR1 (0.36) | SLC6A4KCNH2TACR1 | |
| SCHEMBL3926055 | 0.77 | TACR1 (0.35) | SLC6A4KCNH2TACR1 | |
| SCHEMBL3934408 | 0.77 | TACR1 (0.33) | SLC6A4KCNH2TACR1 | |
| SCHEMBL3926165 | 0.77 | TACR1 (0.42) | SLC6A4KCNH2TACR1 | |
| SCHEMBL3926288 | 0.76 | TACR1 (0.41) | SLC6A4KCNH2TACR1 |
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-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |