Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28555962 | 0.94 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL27927598 | 0.93 | CYP2D6 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL27988941 | 0.91 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL208706 | 0.82 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL28106795 | 0.81 | ALDH1A1 (0.40) | CYP2D6CYP1A2ALDH1A1KMT2AUSP2 | |
| SCHEMBL28237166 | 0.80 | EPHX2 (0.42) | SCN1ASCN2ASCN3A | |
| SCHEMBL221064 | 0.80 | CYP2D6 (0.54) | CYP2D6CYP1A2KMT2AMEN1MMP13 | |
| SCHEMBL222877 | 0.80 | CYP2D6 (0.54) | CYP2D6CYP1A2KMT2AMEN1MMP13 | |
| SCHEMBL221063 | 0.80 | CYP2D6 (0.54) | CYP2D6CYP1A2KMT2AMEN1MMP13 | |
| SCHEMBL28795040 | 0.78 | CYP2D6 (0.38) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 |
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 |