Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6221777 | 0.84 | SCN9A (0.61) | CYP1A2CYP2C9CYP2C19OPRM1SCN9A | |
| SCHEMBL6221784 | 0.84 | SCN9A (0.61) | CYP1A2CYP2C9CYP2C19OPRM1SCN9A | |
| SCHEMBL6226816 | 0.84 | SCN9A (0.61) | CYP1A2CYP2C9CYP2C19OPRM1SCN9A | |
| SCHEMBL3760743 | 0.84 | ADRB1 (0.59) | CYP1A2HPGDOPRM1PARP1SCN9A | |
| SCHEMBL6221703 | 0.84 | ADRB1 (0.59) | CYP1A2HPGDOPRM1PARP1SCN9A | |
| SCHEMBL6223499 | 0.84 | SCN9A (0.58) | CYP1A2CYP2C9CYP2C19PARP1SCN9A | |
| SCHEMBL6223495 | 0.84 | SCN9A (0.58) | CYP1A2CYP2C9CYP2C19PARP1SCN9A | |
| SCHEMBL13766311 | 0.83 | PARP1 (0.61) | CYP1A2CYP2C9CYP2C19PARP1SCN9A | |
| SCHEMBL13762202 | 0.82 | SCN9A (0.54) | CYP1A2CYP2C9CYP2C19PARP1SCN9A | |
| SCHEMBL279575 | 0.81 | HPGD (0.59) | HPGDOPRM1PARP1SCN9AHDAC6 |
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 |