Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 1.00 |
| ▸ | ESR2 | Q92731 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | POLB | P06746 | 3/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | RAB9A | P51151 | 2/20 | 0.72 |
| ▸ | HPGD | P15428 | 1/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | TOP2A | P11388 | 1/20 | 0.52 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758956 | 1.00 | TDP1 (1.00) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL7331913 | 0.98 | TDP1 (0.97) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| SCHEMBL14669315 | 0.89 | HSP90AA1 (0.78) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| SCHEMBL23226713 | 0.87 | HSP90AA1 (0.77) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| Guanidine SCHEMBL8688492 | 0.86 | HSP90AA1 (0.74) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| SCHEMBL6113137 | 0.86 | HSP90AA1 (0.76) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| SCHEMBL1106071 | 0.86 | TDP1 (0.76) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| SCHEMBL7428472 | 0.85 | HSP90AA1 (0.73) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL7331906 | 0.85 | TDP1 (0.73) | TDP1HSP90AA1ESR2ALDH1A1POLB | |
| SCHEMBL12909208 | 0.84 | ALDH1A1 (1.00) | TDP1HSP90AA1ESR2ALDH1A1POLB |
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-2023029380-A1 | NOVEL ARYL ETHER SUBSTITUTED HETEROCYCLIC COMPOUND AS GLP1R AGONIST | 杭州德睿智药科技有限公司 | 2023-03-09 | — | — | WO | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |