Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30584166 | 0.94 | CHRNB4 (0.42) | CYP1A2HIF1ACHRNB4CHRNA3SLC6A2 | |
| SCHEMBL27669020 | 0.94 | CHRNB4 (0.42) | CYP1A2HIF1ACHRNB4CHRNA3SLC6A2 | |
| SCHEMBL14197730 | 0.80 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28288979 | 0.75 | HRH3 (0.36) | CHRNB4CHRNA3 | |
| SCHEMBL2098632 | 0.75 | CHRM4 (0.45) | CHRNB4CHRNA3 | |
| SCHEMBL10340227 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL10340224 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL10340228 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL19360199 | 0.74 | CYP1A2 (0.47) | CYP1A2HIF1ACHRNB4CHRNA3 | |
| SCHEMBL6922616 | 0.74 | CYP1A2 (0.47) | CYP1A2HIF1ACHRNB4CHRNA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3074402-B1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2019-01-16 | — | — | EP | disclosed |
| EP-3074402-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | Merck Sharp & Dohme Corp. (US) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015077905-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |
| WO-2015080988-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |