Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 20/20 | 0.47 |
| ▸ | HTR3A | P46098 | 20/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | HTR5A | P47898 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 SCHEMBL28255187 | 0.92 | HTR1A (0.43) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28255224 | 0.88 | HTR1A (0.59) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28254181 | 0.87 | HTR3A (0.59) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112659 | 0.83 | HTR1A (0.63) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28255188 | 0.79 | HTR1A (0.53) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112740 | 0.79 | HTR1A (0.48) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28255190 | 0.78 | HTR6 (0.36) | HTR3AHTR6 | |
| Tert-Butyl Formate SCHEMBL28267032 | 0.77 | HTR1A (0.44) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112175 | 0.76 | HTR1A (0.43) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28254187 | 0.76 | HTR3A (0.71) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 |
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-108863986-A | The Phenylpiperazine derivatives and application thereof that difluoromethyl replaces | 广东东阳光药业有限公司 | 2018-11-23 | — | — | CN | disclosed |