Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2200157 | 0.87 | SMN1; SMN2 (0.46) | NPC1RAB9AHPGDSMN1; SMN2MAPT | |
| SCHEMBL200799 | 0.83 | LTA4H (0.46) | LTA4HHPGDMAPK14SMN1; SMN2MAPT | |
| SCHEMBL20836088 | 0.75 | LIPE (0.43) | LTA4HNPC1RAB9APPARGSMN1; SMN2 | |
| SCHEMBL202753 | 0.75 | PARP10 (0.53) | LTA4HSMN1; SMN2PARP10SRD5A2ERCC5 | |
| SCHEMBL22071794 | 0.73 | MMP13 (0.47) | NPC1RAB9AHPGDMAPK14SMN1; SMN2 | |
| SCHEMBL1730420 | 0.72 | SMN1; SMN2 (0.66) | NPC1RAB9AHPGDCRHBPCRHR2 | |
| SCHEMBL3739816 | 0.72 | LTA4H (0.53) | LTA4HNPC1RAB9AHPGDCRHBP | |
| SCHEMBL4480029 | 0.72 | PARP10 (0.55) | LTA4HSMN1; SMN2ALDH1A1KMT2APARP10 | |
| SCHEMBL15588847 | 0.72 | PARP10 (0.46) | LTA4HSMN1; SMN2PARP10SRD5A2ERCC5 | |
| SCHEMBL454784 | 0.72 | PARP10 (0.42) | LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1 |
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 |