Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21597017 | 0.94 | CYP2D6 (0.50) | CYP2D6ALDH1A1TP53ALOX15MAPK1 | |
| SCHEMBL16245059 | 0.87 | CYP2D6 (0.55) | CYP2D6ALDH1A1TP53ALOX15MAPK1 | |
| SCHEMBL4448525 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TP53ALOX15MAPK1NPSR1 | |
| SCHEMBL15950962 | 0.82 | CYP2D6 (0.57) | CYP2D6ALDH1A1TP53ALOX15MAPK1 | |
| SCHEMBL31693351 | 0.81 | POLB (0.45) | L3MBTL1KDM4EKMT2ACYP1A2MMP3 | |
| SCHEMBL2408813 | 0.81 | POLB (0.45) | L3MBTL1KDM4EKMT2ACYP1A2MMP3 | |
| SCHEMBL22776333 | 0.81 | CYP2D6 (0.54) | CYP2D6ALDH1A1MAPK1NPSR1KDM4E | |
| SCHEMBL20572251 | 0.81 | CYP2D6 (0.54) | CYP2D6ALDH1A1NPSR1KMT2ACYP1A2 | |
| SCHEMBL13861209 | 0.81 | CYP2D6 (0.54) | CYP2D6ALDH1A1MAPK1NPSR1KDM4E | |
| SCHEMBL3111898 | 0.81 | CYP2D6 (0.54) | CYP2D6ALDH1A1MAPK1NPSR1KDM4E |
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 |