Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 16/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 6/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 4/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18983155 | 0.84 | SCN9A (0.57) | SCN9ACYP3A4SCN1ASCN5ASCN8A | |
| SCHEMBL26761731 | 0.81 | SCN9A (0.44) | SCN9ACYP3A4SCN1ASCN5ASCN8A | |
| SCHEMBL26761781 | 0.81 | SCN9A (0.41) | SCN9ACYP3A4SCN1ASCN5ASCN8A | |
| SCHEMBL22368378 | 0.79 | SCN9A (0.45) | SCN9ACYP3A4SCN1ASCN5A | |
| SCHEMBL20182507 | 0.79 | SCN9A (0.47) | SCN9ACYP3A4SCN1ASCN5A | |
| SCHEMBL20182630 | 0.78 | SCN9A (0.48) | SCN9ACYP3A4SCN1ASCN5A | |
| SCHEMBL19001187 | 0.78 | SCN9A (0.42) | SCN9ACYP3A4SCN1ASCN5A | |
| SCHEMBL20182506 | 0.77 | SCN9A (0.44) | SCN9ACYP3A4SCN1ASCN5A | |
| SCHEMBL19000632 | 0.77 | SCN9A (0.42) | SCN9ACYP3A4SCN1ASCN5A | |
| SCHEMBL20182508 | 0.77 | SCN9A (0.45) | SCN9ACYP3A4SCN1ASCN5ASCN8A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390374-B1 | HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2020-08-26 | — | — | EP | disclosed |
| WO-2017106226-A1 | HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |