Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL91903 | 0.94 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL802804 | 0.94 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL25985198 | 0.94 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL10040760 | 0.94 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL14078803 | 0.94 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL4562139 | 0.94 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL21524287 | 0.87 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL13709051 | 0.85 | CYP2C19 (0.40) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL19213925 | 0.84 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA | |
| SCHEMBL20172061 | 0.84 | CYP19A1 (0.45) | CYP2C19CYP1A2CYP19A1L3MBTL1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2922933-B1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2017-02-01 | — | — | EP | disclosed |