Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | HTR3A | P46098 | 3/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.36 |
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 SCHEMBL28042822 | 0.83 | SLC6A4 (0.54) | NCF1ADRB2HTR6HTR2CHTR3A | |
| Tert-Butyl Formate SCHEMBL27648778 | 0.81 | NCF1 (0.45) | NCF1ADRB2ADRB1HTR6HTR2C | |
| Tert-Butyl Formate SCHEMBL28761806 | 0.80 | NCF1 (0.44) | NCF1ADRB2ADRB1HTR6HTR2C | |
| Tert-Butyl Formate SCHEMBL28302827 | 0.79 | ALDH1A1 (0.52) | NCF1ADRB2ADRB1HTR6HTR2C | |
| Tert-Butyl Formate SCHEMBL28042829 | 0.79 | ADRB2 (0.44) | NCF1ADRB2ADRB1HTR6HTR2C | |
| SCHEMBL28042824 | 0.75 | MAPT (0.39) | HTR2CMAPTALOX5APFEN1 | |
| Tert-Butyl Formate SCHEMBL27859335 | 0.75 | HTR2A (0.47) | NCF1ADRB1EPHX2HTR6HTR2C | |
| Tert-Butyl Formate SCHEMBL27981819 | 0.73 | MAOB (0.55) | NCF1ADRB2ADRB1HTR6HTR2C | |
| SCHEMBL28858764 | 0.73 | SRPK1 (0.42) | ALDH1A1MAPTALOX5APFEN1 | |
| SCHEMBL31652205 | 0.73 | HTR6 (0.57) | NCF1ADRB2ADRB1HTR6HTR2C |
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-105461635-A | Phenylpiperazine derivatives, using method thereof and uses of the derivatives | RUYUAN YAO AUTONOMOUS COUNTY DAZHONG MEDICINE TRADE CO LTD | 2016-04-06 | — | — | CN | disclosed |