Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 1/20 | 0.30 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL24947176 | 1.00 | CYP1A1 (0.41) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL29558872 | 0.76 | CYP1A2 (0.44) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL30200448 | 0.76 | ALDH1A1 (0.36) | CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL24947178 | 0.76 | CYP1A2 (0.44) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL24947179 | 0.76 | ALDH1A1 (0.36) | CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL31384785 | 0.76 | CYP1A2 (0.44) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL29559045 | 0.72 | NSD2 (0.34) | ALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL24947181 | 0.71 | CFTR (0.43) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL14099906 | 0.69 | SMN1; SMN2 (0.43) | KIF11NR1H2NR1H3IDO1 | |
| SCHEMBL2635958 | 0.68 | CYP1A1 (0.43) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-113480534-B | Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof | 广州必贝特医药股份有限公司 | 2022-05-13 | — | — | CN | disclosed |