Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 6/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12566233 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HPGDHSD17B10CA12CA1 | |
| SCHEMBL24947159 | 0.78 | ABL1 (0.43) | ALDH1A1HPGDHSD17B10CA12CA1 | |
| SCHEMBL29967405 | 0.77 | CFTR (0.44) | CFTRNOTUMALDH1A1HPGDHSD17B10 | |
| SCHEMBL28878138 | 0.77 | CFTR (0.44) | CFTRNOTUMALDH1A1HPGDHSD17B10 | |
| SCHEMBL2635958 | 0.75 | CYP1A1 (0.43) | NOTUMCYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL28731299 | 0.75 | GAA (0.44) | CYP1A2ALDH1A1HPGDCA12CA1 | |
| SCHEMBL27706769 | 0.73 | BRD4 (0.47) | CFTRNOTUMALDH1A1HPGDHSD17B10 | |
| SCHEMBL12566234 | 0.73 | GSK3B (0.47) | CYP1A2ALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL74506 | 0.72 | PDE4A (0.46) | ALDH1A1KDM4ELMNAPOLBPKM | |
| SCHEMBL29164216 | 0.72 | ALDH1A1 (0.47) | CFTRALDH1A1HPGDHSD17B10CA12 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| CN-113480534-A | Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-10-08 | — | — | CN | disclosed |