Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 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 SCHEMBL28126239 | 1.00 | CYP2D6 (0.43) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| Tert-Butyl Formate SCHEMBL28555964 | 0.93 | CYP2D6 (0.42) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| Tert-Butyl Formate SCHEMBL28937843 | 0.93 | CYP2D6 (0.48) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| Tert-Butyl Formate SCHEMBL27988942 | 0.90 | CYP2D6 (0.44) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3639846 | 0.88 | CYP2D6 (0.52) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3587507 | 0.88 | CYP2D6 (0.52) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3587080 | 0.88 | CYP2D6 (0.52) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL7462759 | 0.87 | CYP2D6 (0.51) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| Tert-Butyl Formate SCHEMBL28106799 | 0.81 | HTR6 (0.41) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 | |
| Tert-Butyl Formate SCHEMBL28106797 | 0.81 | HTR6 (0.41) | CYP2D6HTR6CYP1A2CYP3A4CYP2C19 |
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-106459002-A | Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases | 比奥根MA公司 | 2017-02-22 | — | — | CN | disclosed |