Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
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 SCHEMBL27684526 | 0.86 | SIGMAR1 (0.39) | TDP1SIGMAR1ALDH1A1MEN1MAPT | |
| Tert-Butyl Formate SCHEMBL27787733 | 0.86 | SIGMAR1 (0.39) | SIGMAR1ALDH1A1MEN1MAPTKMT2A | |
| Tert-Butyl Formate SCHEMBL28022652 | 0.85 | KDM4E (0.40) | CHRM3SLC6A4OPRD1 | |
| Tert-Butyl Formate SCHEMBL27958701 | 0.84 | TDP1 (0.45) | TDP1SIGMAR1PDE4APDE4BPDE4C | |
| Tert-Butyl Formate SCHEMBL27844340 | 0.83 | HRH2 (0.42) | TDP1SIGMAR1ALDH1A1MEN1MAPT | |
| Tert-Butyl Formate SCHEMBL28118470 | 0.83 | TDP1 (0.52) | TDP1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27998227 | 0.83 | TDP1 (0.43) | TDP1SIGMAR1ALDH1A1MEN1MAPT | |
| Tert-Butyl Formate SCHEMBL27621319 | 0.81 | TDP1 (0.50) | TDP1KMT2ASMN1; SMN2POLBCYP1A2 | |
| Tert-Butyl Formate SCHEMBL27721169 | 0.81 | TDP1 (0.42) | TDP1SIGMAR1ALDH1A1MEN1MAPT | |
| Tert-Butyl Formate SCHEMBL27742763 | 0.79 | TDP1 (0.52) | TDP1 |
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-101600701-A | Arylsulfonamide derivatives and methods of use thereof | WYETH CORP (US) | 2009-12-09 | — | — | CN | disclosed |