Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 20/20 | 0.78 |
| ▸ | HTR3A | P46098 | 20/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
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 SCHEMBL28112647 | 0.89 | HTR1A (0.77) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112157 | 0.87 | HTR3A (0.58) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28267027 | 0.87 | HTR3A (0.58) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112659 | 0.84 | HTR1A (0.63) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112680 | 0.82 | HTR1A (0.75) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112152 | 0.81 | HTR1A (0.73) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112648 | 0.81 | HTR1A (0.72) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Vortioxetine SCHEMBL28020135 | 0.77 | HTR1A (0.77) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112299 | 0.76 | HTR1A (0.73) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27976827 | 0.74 | HTR1A (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279071-B | Phenylpiperazine derivatives and its application method and purposes | 广东东阳光药业有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-106279071-A | Phenylpiperazine derivatives and using method thereof and purposes | 广东东阳光药业有限公司 | 2017-01-04 | — | — | CN | disclosed |