Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 9/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SCN1A | P35498 | 2/20 | 0.45 |
| ▸ | MRGPRX2 | Q96LB1 | 2/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7003941 | 0.89 | OPRM1 (0.44) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL6900789 | 0.82 | OPRM1 (0.49) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL6899812 | 0.79 | NR1H2 (0.43) | OPRM1OPRD1OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL23329693 | 0.77 | GFER (0.45) | SIGMAR1ALDH1A1LMNA | |
| SCHEMBL11699756 | 0.75 | OPRM1 (0.65) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL11699749 | 0.75 | OPRM1 (0.65) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL11701292 | 0.75 | OPRM1 (0.65) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL11704239 | 0.75 | OPRM1 (0.65) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL23329627 | 0.74 | OPRM1 (0.39) | OPRM1OPRD1OPRK1GRIN2DGRIN3B | |
| SCHEMBL23836805 | 0.73 | GRIN1 (0.47) | OPRM1OPRK1GRIN2DGRIN3BGRIN1 |
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-3473630-B1 | BORON-BASED PRODRUG STRATEGY FOR INCREASED BIOAVAILABILITY AND LOWER-DOSAGE REQUIREMENTS FOR DRUG MOLECULES CONTAINING AT LEAST ONE PHENOL (OR AROMATIC HYDROXYL) GROUP | XAVIER UNIV OF LOUISIANA (US) | 2021-01-13 | — | — | EP | disclosed |