Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18173559 | 1.00 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL19150678 | 0.93 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL17823736 | 0.84 | CYP2D6 (0.46) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL16823465 | 0.83 | ALDH1A1 (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL4401417 | 0.83 | ALDH1A1 (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL15518770 | 0.80 | CYP2D6 (0.50) | CYP2D6CYP1A2ALDH1A1POLBHPGD | |
| SCHEMBL6364182 | 0.80 | ACHE (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3129529 | 0.80 | ACHE (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3129518 | 0.80 | ACHE (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL18007258 | 0.79 | HSD17B10 (0.36) | CYP2C19SMN1; SMN2RAB9A |
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 2 patents. 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 | claimed |
| 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 |