Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14597530 | 0.88 | TDP1 (0.42) | TDP1SLC18A3MEN1ALDH1A1CYP2D6 | |
| SCHEMBL14061760 | 0.81 | MEN1 (0.40) | CHRNB4CHRNA3TDP1CHRM4CHRM5 | |
| SCHEMBL6262157 | 0.81 | MEN1 (0.40) | CHRNB4CHRNA3TDP1CHRM4CHRM5 | |
| SCHEMBL27875347 | 0.79 | TDP1 (0.38) | CHRNB4CHRNA3TDP1CHRM4CHRM5 | |
| SCHEMBL27669020 | 0.79 | CHRNB4 (0.42) | CHRNB4CHRNA3CHRM4CHRM5CHRM1 | |
| SCHEMBL14597529 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KMT2A | |
| SCHEMBL27732742 | 0.75 | TDP1 (0.39) | CHRNB4CHRNA3TDP1CHRM4CHRM5 | |
| SCHEMBL2098632 | 0.74 | CHRM4 (0.45) | CHRNB4CHRNA3CHRM4CHRM5CHRM1 | |
| SCHEMBL28288979 | 0.74 | HRH3 (0.36) | CHRNB4CHRNA3CHRM4CHRM5CHRM1 | |
| SCHEMBL16757410 | 0.72 | CYP1A2 (0.42) | CHRNB4CHRNA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| 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 |