Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL23409044 | 0.84 | CYP1A2 (0.39) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL12167761 | 0.62 | CYP1A2 (0.36) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL25509455 | 0.61 | CYP1A2 (0.44) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL603587 | 0.60 | CSNK2A2 (0.44) | — | |
| SCHEMBL14368979 | 0.60 | CYP1A2 (0.42) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL10836908 | 0.59 | CHEK1 (0.42) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL9777556 | 0.59 | CYP1A2 (0.49) | CYP1A2CYP2D6CHEK1CHEK2 | |
| Hydrochloric Acid SCHEMBL898173 | 0.58 | CYP1A2 (0.41) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL29665587 | 0.58 | TTBK1 (0.62) | CYP1A2CYP2D6CHEK1CHEK2 | |
| SCHEMBL23409027 | 0.58 | TTBK1 (0.62) | CYP1A2CYP2D6CHEK1CHEK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021009568-A1 | BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF | 2692372 ONTARIO, INC. (CA) | 2021-01-21 | — | — | WO | disclosed |