Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19126918 | 1.00 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL9699107 | 0.92 | CYP2D6 (0.58) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6645652 | 0.86 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5744689 | 0.84 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL6121238 | 0.83 | CYP2D6 (0.64) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL9703277 | 0.82 | CYP2D6 (0.63) | CYP2D6CYP1A2ALDH1A1HPGDDRD2 | |
| SCHEMBL8531228 | 0.82 | CYP2D6 (0.63) | CYP2D6CYP1A2ALDH1A1HPGDDRD2 | |
| SCHEMBL6881853 | 0.80 | ALDH1A1 (0.56) | CYP2D6CYP1A2ALDH1A1HSD11B1PKM | |
| SCHEMBL10597843 | 0.80 | CYP2D6 (0.53) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL8425188 | 0.80 | ALDH1A1 (0.56) | CYP2D6CYP1A2ALDH1A1HSD11B1PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016170545-A1 | PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF | MSN LABORATORIES PRIVATE LIMITED (IN) | 2016-10-27 | — | — | WO | disclosed |