Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | CDC14B | O60729 | 1/20 | 0.35 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29558872 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP1A1CYP1B1CDC14BCDC14A | |
| SCHEMBL31384785 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL3605156 | 0.77 | ALDH1A1 (0.35) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL23218304 | 0.77 | ESR2 (0.39) | CYP1A2ALDH1A1HSD17B10HTTMAPT | |
| SCHEMBL29559397 | 0.76 | CYP1A1 (0.41) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL24947176 | 0.76 | CYP1A1 (0.41) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL24947181 | 0.71 | CFTR (0.43) | CYP1A2CYP1A1CYP1B1NOTUMALDH1A1 | |
| SCHEMBL23218427 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HPGDHSD17B10HTTMEN1 | |
| SCHEMBL5987754 | 0.69 | HTR2C (0.43) | CDC14BCDC14ANOTUMMAPT | |
| SCHEMBL31384774 | 0.68 | MAPT (0.38) | CYP1A2CYP1A1CYP1B1ALDH1A1HPGD |
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 |