Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL173569 | 0.86 | HTT (0.37) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL20400328 | 0.83 | HTT (0.38) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL31497515 | 0.83 | CYP1A2 (0.38) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL25888929 | 0.83 | ALDH1A1 (0.36) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL14926070 | 0.80 | LMNA (0.46) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL611899 | 0.79 | CHEK1 (0.36) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL28607578 | 0.76 | MITF (0.50) | CYP2C19HTTALDH1A1MEN1KMT2A | |
| SCHEMBL14926138 | 0.75 | HTT (0.36) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL173687 | 0.73 | HTT (0.38) | CYP1A2CYP2C19HTTALDH1A1MEN1 | |
| SCHEMBL25888930 | 0.71 | MEN1 (0.37) | CYP1A2CYP2C19HTTALDH1A1MEN1 |
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 |