Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 7/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 6/20 | 0.33 |
| ▸ | CTSV | O60911 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 3/20 | 0.33 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19884591 | 0.87 | CYP2D6 (0.37) | OPRM1CYP2D6LMNATSHRKMT2A | |
| SCHEMBL19937395 | 0.82 | CYP2D6 (0.40) | OPRM1OPRD1OPRK1CYP2D6LMNA | |
| SCHEMBL13474845 | 0.79 | KMT2A (0.43) | CYP2D6LMNACTSKCTSVCTSL | |
| SCHEMBL22064475 | 0.78 | KMT2A (0.42) | CYP2D6LMNATSHRKMT2A | |
| SCHEMBL13386836 | 0.78 | KMT2A (0.44) | CYP2D6LMNACTSKCTSVCTSL | |
| SCHEMBL13460343 | 0.77 | TSHR (0.37) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL19937352 | 0.77 | TSHR (0.39) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL13474888 | 0.77 | TSHR (0.39) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL17931091 | 0.76 | CTSK (0.33) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL19937371 | 0.75 | — | — |
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-2514800-B2 | Compounds and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2018-03-07 | — | — | EP | disclosed |