Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
| ▸ | TCF4 | P15884 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL479932 | 0.86 | HTT (0.46) | HTR2ASLC6A4KCNH2HTTALDH1A1 | |
| SCHEMBL20550917 | 0.81 | HTR2A (0.40) | HTR2ASLC6A4KCNH2HTTALDH1A1 | |
| SCHEMBL28329244 | 0.81 | ALDH1A1 (0.53) | HTTALDH1A1CYP2D6 | |
| SCHEMBL8342327 | 0.80 | HTR2A (0.50) | HTR2ASLC6A4KCNH2HTTMAOA | |
| SCHEMBL28162837 | 0.79 | TYR (0.54) | HTTALDH1A1ERN1TRIM24TYR | |
| SCHEMBL4668736 | 0.79 | ALDH1A1 (0.46) | HTTALDH1A1ERN1TRIM24TYR | |
| SCHEMBL4981765 | 0.79 | HTT (0.66) | HTR2AHTTALDH1A1CYP2D6 | |
| SCHEMBL2817075 | 0.78 | HTR2A (0.49) | HTR2ASLC6A4KCNH2HTTALDH1A1 | |
| SCHEMBL838659 | 0.78 | TP53 (0.57) | HTTCYP2D6 | |
| SCHEMBL474013 | 0.77 | PDE2A (0.51) | HTR2ASLC6A4KCNH2ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102548976-B | (thio) morpholine derivatives as S1P modulators | ABBVIE BAHAMAS LTD. (BS) | 2015-09-09 | — | — | CN | disclosed |