Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26668950 | 0.81 | NR4A2 (0.42) | ALDH1A1MKNK2CA1CA2CA9 | |
| SCHEMBL24946162 | 0.78 | GAA (0.42) | ALDH1A1MKNK2CA1CA2CA9 | |
| SCHEMBL26651080 | 0.73 | CA1 (0.38) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL30158281 | 0.73 | CA1 (0.38) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL28121153 | 0.72 | CA12 (0.40) | ALDH1A1MKNK2CA1CA2CA9 | |
| SCHEMBL12566233 | 0.71 | ALDH1A1 (0.40) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL12566698 | 0.71 | NR4A2 (0.49) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL20146043 | 0.71 | CA1 (0.44) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL19840080 | 0.70 | CA1 (0.41) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL7949454 | 0.70 | LMNA (0.43) | ALDH1A1CA1CA2CA9KDM4E |
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 2 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 |