Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.44 |
| ▸ | HTR3A | P46098 | 14/20 | 0.43 |
| ▸ | HTR1A | P08908 | 13/20 | 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 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | 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 SCHEMBL27621449 | 0.86 | KDR (0.41) | HTR6HTR3AHTR1AHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28255190 | 0.83 | HTR6 (0.36) | HTR6HTR3AHTR3EHTR3BHTR3D | |
| Tert-Butyl Formate SCHEMBL27697695 | 0.83 | HTR6 (0.47) | HTR6HTR3AHTR1AHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28112166 | 0.82 | HTR6 (0.46) | HTR6HTR3AHTR1AHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28256706 | 0.81 | USP28 (0.41) | HTR6HTR3AHTR3EHTR3BHTR3D | |
| Tert-Butyl Formate SCHEMBL27656471 | 0.79 | HTR6 (0.70) | HTR6HTR3AHTR1AHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28840344 | 0.78 | HTR6 (0.48) | HTR6HTR3AHTR3EHTR3BHTR3D | |
| Tert-Butyl Formate SCHEMBL27944976 | 0.77 | MAPT (0.51) | HTR6HTR3AHTR1AHTR3EHTR3B | |
| Tert-Butyl Formate SCHEMBL28001306 | 0.76 | CXCR4 (0.38) | HTR3AHTR1AHTR3EHTR3BHTR3D | |
| Tert-Butyl Formate SCHEMBL28794458 | 0.74 | ADRB1 (0.43) | HTR6HTR3AHTR1AHTR3EHTR3B |
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-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 |