Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL19937385 | 0.87 | OPRM1 (0.36) | CYP2D6LMNATSHRKMT2AALOX15 | |
| SCHEMBL19937395 | 0.87 | CYP2D6 (0.40) | CYP2D6LMNATSHRKMT2AALOX15 | |
| SCHEMBL13474888 | 0.82 | TSHR (0.39) | CYP2D6LMNATSHRKMT2AS1PR5 | |
| SCHEMBL19937352 | 0.82 | TSHR (0.39) | CYP2D6LMNATSHRKMT2AS1PR5 | |
| SCHEMBL12273539 | 0.80 | TSHR (0.38) | CYP2D6LMNATSHRKMT2AALOX15 | |
| SCHEMBL19884582 | 0.80 | TSHR (0.38) | CYP2D6LMNATSHRKMT2ANR1I2 | |
| SCHEMBL13460343 | 0.80 | TSHR (0.37) | CYP2D6LMNATSHRKMT2AS1PR5 | |
| SCHEMBL13474862 | 0.79 | KMT2A (0.45) | CYP2D6LMNATSHRKMT2ANR1I2 | |
| SCHEMBL6809943 | 0.78 | KMT2A (0.37) | CYP2D6LMNATSHRKMT2AALOX15 | |
| SCHEMBL9354361 | 0.78 | TSHR (0.36) | CYP2D6LMNATSHRKMT2ANR1I2 |
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-2722380-B1 | Liquid crystal medium, method for the stabilisation thereof and liquid crystal display | MERCK PATENT GMBH (DE) | 2018-02-21 | — | — | EP | disclosed |