Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 2/20 | 0.51 |
| ▸ | CHUK | O15111 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20344016 | 0.85 | SCN9A (0.58) | SCN9AOPRK1OPRM1HDAC4HDAC6 | |
| SCHEMBL6223499 | 0.82 | SCN9A (0.58) | SCN9AOPRK1HDAC4HDAC6IKBKB | |
| SCHEMBL6223495 | 0.82 | SCN9A (0.58) | SCN9AOPRK1HDAC4HDAC6IKBKB | |
| SCHEMBL20344080 | 0.81 | SCN9A (0.60) | SCN9AOPRK1HDAC4HDAC6IKBKB | |
| SCHEMBL27760711 | 0.81 | KCNH2 (0.62) | OPRK1OPRM1HDAC6HPGDPOLB | |
| SCHEMBL17888386 | 0.80 | SCN9A (0.58) | SCN9AOPRK1OPRM1HDAC4HDAC6 | |
| SCHEMBL6226816 | 0.80 | SCN9A (0.61) | SCN9AOPRK1OPRM1HDAC4HDAC6 | |
| SCHEMBL6221784 | 0.80 | SCN9A (0.61) | SCN9AOPRK1OPRM1HDAC4HDAC6 | |
| SCHEMBL6221777 | 0.80 | SCN9A (0.61) | SCN9AOPRK1OPRM1HDAC4HDAC6 | |
| SCHEMBL3037871 | 0.80 | SCN9A (0.58) | SCN9AOPRK1HDAC4HDAC6IKBKB |
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 |