Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 11/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.69 |
| ▸ | SCN5A | Q14524 | 12/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL18992504 | 0.92 | SCN9A (0.67) | SCN9ACYP3A4SCN5A | |
| SCHEMBL18983164 | 0.88 | SCN5A (0.69) | SCN9ACYP3A4SCN5A | |
| SCHEMBL20182487 | 0.88 | SCN9A (0.67) | SCN9ACYP3A4SCN5A | |
| SCHEMBL19008514 | 0.86 | SCN9A (0.69) | SCN9ACYP3A4SCN5A | |
| SCHEMBL18992285 | 0.85 | SCN9A (0.66) | SCN9ACYP3A4SCN5A | |
| SCHEMBL18992442 | 0.85 | SCN9A (0.70) | SCN9ACYP3A4SCN5A | |
| SCHEMBL25974863 | 0.84 | SCN9A (0.67) | SCN9ACYP3A4SCN5A | |
| SCHEMBL22593001 | 0.83 | SCN9A (0.64) | SCN9ACYP3A4SCN5A | |
| SCHEMBL22592992 | 0.83 | SCN9A (0.68) | SCN9ACYP3A4SCN5A | |
| SCHEMBL20586160 | 0.83 | SCN5A (0.64) | SCN9ACYP3A4SCN5A |
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-3484464-B1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2020-10-28 | — | — | EP | disclosed |
| WO-2017165204-A1 | N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-09-28 | — | — | WO | disclosed |