Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL289215 | 0.80 | CYP1A2 (0.48) | CYP2A6CYP1A2MAOAMAOBFTO | |
| SCHEMBL30200086 | 0.75 | CYP1A2 (0.37) | CYP2A6CYP1A2MAOAMAOBFTO | |
| SCHEMBL31026611 | 0.69 | CYP1A2 (0.52) | CYP2A6CYP1A2MAOAMAOBFTO | |
| Chromone SCHEMBL30876963 | 0.65 | MAOA (0.70) | MAOAMAOBFTOALDH1A1ACHE | |
| SCHEMBL6819496 | 0.65 | CYP2A6 (0.40) | CYP2A6CYP1A2MAOAMAOBFTO | |
| SCHEMBL21295766 | 0.64 | — | — | |
| SCHEMBL14437993 | 0.64 | DRD1 (0.32) | — | |
| SCHEMBL24534291 | 0.62 | CYP1A2 (0.54) | CYP2A6CYP1A2MAOAMAOBFTO | |
| SCHEMBL806507 | 0.62 | TRPA1 (0.37) | CYP2A6CYP1A2MAOAMAOBFTO | |
| SCHEMBL827878 | 0.62 | AHR (0.41) | CYP2A6CYP1A2MAOAMAOBFTO |
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-2023000834-A1 | BENZIMIDAZOLE OR AZABENZIMIDAZOLE-6-CARBOXYLIC ACID COMPOUND AND USE THEREOF | 广州必贝特医药股份有限公司 | 2023-01-26 | — | — | WO | disclosed |