Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 6/20 | 0.50 |
| ▸ | JAK1 | P23458 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20344080 | 0.87 | SCN9A (0.60) | SCN9AHDAC4HDAC6OPRK1IKBKB | |
| SCHEMBL17888386 | 0.86 | SCN9A (0.58) | SCN9AHDAC4HDAC6OPRM1OPRK1 | |
| SCHEMBL3037871 | 0.86 | SCN9A (0.58) | SCN9AHDAC4HDAC6OPRK1IKBKB | |
| SCHEMBL6221777 | 0.86 | SCN9A (0.61) | SCN9AHDAC4HDAC6OPRM1OPRD1 | |
| SCHEMBL6226816 | 0.86 | SCN9A (0.61) | SCN9AHDAC4HDAC6OPRM1OPRD1 | |
| SCHEMBL6221784 | 0.86 | SCN9A (0.61) | SCN9AHDAC4HDAC6OPRM1OPRD1 | |
| SCHEMBL6221703 | 0.86 | ADRB1 (0.59) | SCN9AHDAC4HDAC6OPRM1IKBKB | |
| SCHEMBL3760743 | 0.86 | ADRB1 (0.59) | SCN9AHDAC4HDAC6OPRM1IKBKB | |
| SCHEMBL20344101 | 0.85 | SCN9A (0.55) | SCN9AHDAC4HDAC6OPRM1OPRK1 | |
| SCHEMBL13766453 | 0.84 | SCN9A (0.56) | SCN9AHDAC4HDAC6OPRM1OPRK1 |
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-3342772-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-07-04 | — | — | EP | disclosed |