Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27698725 | 0.91 | HTR6 (0.44) | HTR6LOXL2HTR1ADRD2HTR2A | |
| Tert-Butyl Formate SCHEMBL27698755 | 0.89 | HDAC3 (0.39) | CYP1A2CYP2C19CYP2C18KCNH2NAMPT | |
| Hydrochloric Acid SCHEMBL2825144 | 0.87 | NAMPT (0.42) | CYP1A2CYP2C19CYP2C18KCNH2NAMPT | |
| Tert-Butyl Formate SCHEMBL27719003 | 0.85 | SCD (0.37) | CYP1A2CYP2C19CYP2C18KCNH2SCD | |
| Tert-Butyl Formate SCHEMBL28771984 | 0.83 | SCD (0.36) | CYP1A2CYP2C19CYP2C18KCNH2SCD | |
| Tert-Butyl Formate SCHEMBL27698699 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP2C18KCNH2ADRB2 | |
| Tert-Butyl Formate SCHEMBL27698703 | 0.78 | TDP1 (0.39) | CYP1A2CYP2C19CYP2C18KCNH2ALDH1A1 | |
| SCHEMBL28539266 | 0.78 | HTR6 (0.54) | HTR6HDAC3HDAC1HDAC2LOXL2 | |
| Hydrochloric Acid SCHEMBL2823990 | 0.77 | HTR6 (0.52) | HTR6HDAC3HDAC1HDAC2LOXL2 | |
| SCHEMBL2823262 | 0.76 | GPR119 (0.53) | — |
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-101137363-B | [4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1(GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE | 2010-09-15 | — | — | CN | disclosed |
| CN-101137363-A | [ 4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1 (GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE (CH) | 2008-03-05 | — | — | CN | disclosed |