Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VSIR | Q9H7M9 | 6/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22736764 | 0.97 | VSIR (0.40) | VSIRALOX5PRKDCGPR119MAPT | |
| SCHEMBL22736564 | 0.93 | KDM4E (0.39) | ALOX5PRKDCMAPTKDM4ENPC1 | |
| SCHEMBL22736761 | 0.91 | VSIR (0.43) | VSIRALOX5PRKDCGPR119MAPT | |
| SCHEMBL23473856 | 0.91 | VSIR (0.42) | VSIRGPR119MAPTKDM4ENPC1 | |
| SCHEMBL23473722 | 0.90 | VSIR (0.42) | VSIRGPR119MAPTKDM4ENPC1 | |
| SCHEMBL22736409 | 0.90 | NPC1 (0.38) | VSIRALOX5MAPTKDM4ENPC1 | |
| SCHEMBL22177868 | 0.90 | ALOX5 (0.39) | ALOX5PRKDCMAPTKDM4ENPC1 | |
| SCHEMBL22736080 | 0.89 | VSIR (0.42) | VSIRALOX5PRKDCGPR119MAPT | |
| SCHEMBL27049473 | 0.89 | GPR119 (0.41) | VSIRGPR119MAPTKDM4ENPC1 | |
| SCHEMBL22736765 | 0.89 | VSIR (0.39) | VSIRALOX5PRKDCGPR119MAPT |
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-2020242161-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-12-03 | — | — | WO | disclosed |