Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 SCHEMBL28105249 | 0.96 | MKNK1 (0.37) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL1652841 | 0.84 | MEN1 (0.47) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Tert-Butyl Formate SCHEMBL27843164 | 0.84 | MKNK1 (0.37) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Tert-Butyl Formate SCHEMBL28024916 | 0.83 | SLC6A3 (0.39) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Tert-Butyl Formate SCHEMBL28064954 | 0.81 | MEN1 (0.37) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Tert-Butyl Formate SCHEMBL27957986 | 0.79 | MKNK1 (0.39) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Tert-Butyl Formate SCHEMBL28065167 | 0.79 | CA1 (0.37) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Tert-Butyl Formate SCHEMBL27674583 | 0.78 | HTR2C (0.41) | PPARGPPARATDP1HTR2C | |
| Tert-Butyl Formate SCHEMBL28105175 | 0.78 | PARP1 (0.37) | PARP1PARP2PRKAB2PRKAG1PRKAA2 | |
| Tert-Butyl Formate SCHEMBL28876453 | 0.73 | FDPS (0.43) | MEN1CYP2D6KMT2APOLBSMN1; SMN2 |
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-101969774-A | Organic compounds | INTRA CELLULAR THERAPIES INC | 2011-02-09 | — | — | CN | disclosed |