Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28554941 | 1.00 | OPRM1 (0.39) | OPRM1OPRD1OPRK1OPRL1CYP1A2 | |
| SCHEMBL28061973 | 0.82 | CYP1A2 (0.44) | CYP1A2TSHRCCR1MMP1 | |
| SCHEMBL1661396 | 0.80 | EPHX1 (0.45) | CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL1152681 | 0.80 | EPHX1 (0.45) | CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL28005675 | 0.80 | ALPI (0.43) | CYP1A2CCR1MMP1TRPA1 | |
| SCHEMBL1153151 | 0.78 | EPHX1 (0.47) | CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL1661394 | 0.78 | EPHX1 (0.47) | CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL27662462 | 0.76 | CHRM2 (0.41) | CYP1A2CCR1MMP1SLC6A2SLC6A4 | |
| SCHEMBL27651482 | 0.74 | EPHX1 (0.47) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL1153125 | 0.74 | EPHX1 (0.47) | OPRM1OPRD1OPRK1OPRL1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5094723-A | Separation of m-xylene from p-xylene or o-xylene by extractive distillation with alcohols | Berg, Lloyd (US) | 1992-03-10 | — | — | US | disclosed |