Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 7/20 | 0.35 |
| ▸ | HTR1A | P08908 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
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 SCHEMBL28265600 | 0.84 | HTR1A (0.53) | HTR6HTR3AHTR1AHTR2C | |
| Tert-Butyl Formate SCHEMBL28265603 | 0.84 | HTR1A (0.49) | HTR3AHTR1A | |
| Tert-Butyl Formate SCHEMBL28267032 | 0.83 | HTR1A (0.44) | HTR6HTR3AHTR1AADRB2HTR2C | |
| Tert-Butyl Formate SCHEMBL28265599 | 0.82 | HTR1A (0.51) | HTR6HTR3AHTR1AADRB2HTR2C | |
| Tert-Butyl Formate SCHEMBL28265724 | 0.82 | HTR1A (0.50) | HTR3AHTR1A | |
| Tert-Butyl Formate SCHEMBL28301315 | 0.81 | DRD2 (0.40) | HTR6DRD2DRD3HTR3AALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28042680 | 0.81 | DRD2 (0.40) | HTR6DRD2DRD3HTR3AALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28265681 | 0.81 | HTR3A (0.53) | HTR6HTR3AHTR1AALDH1A1KDM4E | |
| Tert-Butyl Formate SCHEMBL28267058 | 0.79 | HTR1A (0.39) | HTR6HTR3AHTR1AADRB2HTR2C | |
| Tert-Butyl Formate SCHEMBL27615989 | 0.75 | DRD2 (0.46) | DRD2DRD3HTR3AALDH1A1MAPKAPK2 |
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-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 |