Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | LTA4H | P09960 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 6/20 | 0.58 |
| ▸ | ACHE | P22303 | 6/20 | 0.58 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | EBP | Q15125 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10503798 | 0.81 | CYP2D6 (0.79) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL10887640 | 0.80 | HRH3 (0.64) | CYP2D6LTA4HBCHEACHEKCNH2 | |
| SCHEMBL9098371 | 0.79 | LTA4H (0.56) | CYP2D6LTA4HBCHEACHEKCNH2 | |
| SCHEMBL30186025 | 0.76 | BCHE (0.70) | CYP2D6CYP1A2BCHEACHEKMT2A | |
| Tesmilifene SCHEMBL112525 | 0.76 | LTA4H (1.00) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL10349847 | 0.76 | LTA4H (0.51) | CYP2D6LTA4HBCHEACHEKCNH2 | |
| SCHEMBL10898516 | 0.76 | CYP1A2 (0.66) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL1829150 | 0.75 | MEN1 (0.49) | BCHEACHEKCNH2SIGMAR1KMT2A | |
| SCHEMBL372984 | 0.75 | MEN1 (0.49) | BCHEACHEKCNH2SIGMAR1KMT2A | |
| SCHEMBL12610941 | 0.75 | CYP2D6 (0.74) | CYP2D6HTTCYP1A2LTA4HCYP2C9 |
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-2017205451-A1 | NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-11-30 | — | — | WO | disclosed |