Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL147085 | 0.84 | CYP2C19 (0.54) | CYP2C19CYP2D6CYP1A2CYP2C9ADRA2A | |
| SCHEMBL31738884 | 0.84 | CYP2C19 (0.54) | CYP2C19CYP2D6CYP1A2CYP2C9ADRA2A | |
| Hydrogen Sulfide SCHEMBL28838423 | 0.82 | CYP2C19 (0.52) | CYP2C19CYP2D6CYP1A2CYP2C9ADRA2A | |
| SCHEMBL7918865 | 0.82 | CYP2C19 (0.52) | CYP2C19CYP2D6CYP1A2CYP2C9HPGD | |
| SCHEMBL7918863 | 0.82 | CYP2C19 (0.52) | CYP2C19CYP2D6CYP1A2CYP2C9HPGD | |
| SCHEMBL20930986 | 0.80 | MET (0.51) | CYP2C19CYP2D6CYP1A2CYP2C9HPGD | |
| SCHEMBL10688280 | 0.80 | ADRA2A (0.51) | CYP2C19CYP2D6CYP1A2CYP2C9HPGD | |
| Methane SCHEMBL27919160 | 0.80 | CYP2C19 (0.50) | CYP2C19CYP2D6CYP1A2CYP2C9HPGD | |
| SCHEMBL25019650 | 0.79 | CYP1A2 (0.44) | CYP2C19CYP2D6CYP1A2CYP2C9HPGD | |
| SCHEMBL599659 | 0.79 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP1A2CYP2C9ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848974-B | Polyacid-based metal-organic framework material, synthesis method thereof and application thereof in coupling of photocatalytic oxidation benzylamine | 河南大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-111848974-A | Polyacid-based metal-organic framework material, synthesis method thereof and application thereof in coupling of photocatalytic oxidation benzylamine | 河南大学 | 2020-10-30 | — | — | CN | disclosed |
| US-4246268-A | ANTIPSYCHOTICS, TRANQUILIZERS, NEUROLEPTICS COMPOUNDS AND NOVEL INTERMEDIATES | RICHARDSON-MERRELL INC. (US) | 1981-01-20 | — | — | US | disclosed |