Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13343394 | 0.79 | RARB (0.48) | RARBALOX5NPC1RAB9ATP53 | |
| SCHEMBL5683098 | 0.77 | RARB (0.54) | RARBRAB9ATP53SMN1; SMN2HSD17B10 | |
| SCHEMBL714794 | 0.77 | RARB (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28049598 | 0.77 | ESR2 (0.42) | CYP2C9CYP2C19KDM1AKDM1B | |
| SCHEMBL20252191 | 0.76 | ESR2 (0.44) | CYP1A2CYP2C9CYP2C19MAPTKDM1A | |
| SCHEMBL2657319 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL9318498 | 0.76 | RARB (0.40) | RARBALOX5NPC1RAB9ATP53 | |
| SCHEMBL13614320 | 0.76 | RARB (0.47) | RARBALOX5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6684291 | 0.74 | RARB (0.48) | RARBALOX5NPC1RAB9ATP53 | |
| SCHEMBL15430817 | 0.74 | FFAR1 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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-2012126565-A1 | MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA, AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY | MERCK PATENT GMBH (DE) | 2012-09-27 | — | — | WO | disclosed |