Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26219177 | 0.91 | MAPK1 (0.70) | MAPK1KEAP1GAANPC1ADRA2C | |
| SCHEMBL11326554 | 0.91 | MAPK1 (0.54) | MAPK1KEAP1GAANCF1ADRA2C | |
| SCHEMBL4427099 | 0.91 | MAPK1 (0.54) | MAPK1KEAP1GAANCF1ADRA2C | |
| SCHEMBL27934132 | 0.88 | MAPK1 (0.74) | MAPK1KEAP1GAANCF1NPC1 | |
| SCHEMBL22652955 | 0.83 | ADRB1 (0.67) | NCF1ALDH1A1MAPTDRD2DRD3 | |
| SCHEMBL30407939 | 0.81 | ADRB1 (0.65) | MAPK1KEAP1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL23161511 | 0.79 | SMN1; SMN2 (0.56) | MAPK1GAAALDH1A1MAPTDRD3 | |
| SCHEMBL570340 | 0.79 | KEAP1 (0.48) | MAPK1KEAP1GAANCF1NPC1 | |
| SCHEMBL30664040 | 0.79 | KEAP1 (0.87) | MAPK1KEAP1GAANCF1NPC1 | |
| SCHEMBL3043141 | 0.79 | GAA (0.60) | MAPK1KEAP1GAANPC1ALDH1A1 |
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-2012052104-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2012-04-26 | — | — | WO | disclosed |