Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 16/20 | 0.53 |
| ▸ | HTR1A | P08908 | 15/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 SCHEMBL28112656 | 0.90 | HTR1A (0.53) | HTR3AHTR1AHTR2CHTR6CYP1A2 | |
| Tert-Butyl Formate SCHEMBL28112157 | 0.90 | HTR3A (0.58) | HTR3AHTR1AHTR2CHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28112670 | 0.89 | HTR1A (0.52) | HTR3AHTR1ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28112740 | 0.87 | HTR1A (0.48) | HTR3AHTR1AHTR2CHTR6CYP1A2 | |
| Tert-Butyl Formate SCHEMBL28265681 | 0.85 | HTR3A (0.53) | HTR3AHTR1AHTR2CHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28112647 | 0.84 | HTR1A (0.77) | HTR3AHTR1ACYP1A2CYP3A4CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28265600 | 0.84 | HTR1A (0.53) | HTR3AHTR1AHTR2CHTR6CYP1A2 | |
| SCHEMBL547373 | 0.82 | HTR3A (0.71) | HTR3AHTR1AHTR2CHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28254181 | 0.80 | HTR3A (0.59) | HTR3AHTR1AHTR2CHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL27648778 | 0.79 | NCF1 (0.45) | HTR3AHTR1AHTR2CHTR3EHTR3B |
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 |