Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL1038150 | 0.77 | CYP19A1 (0.52) | KIF11CYP19A1ALDH1A1TSHR | |
| SCHEMBL29685084 | 0.75 | KIF11 (0.41) | KIF11CYP19A1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL30390809 | 0.74 | CYP19A1 (0.50) | KIF11CYP19A1ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL27725990 | 0.74 | CYP19A1 (0.50) | KIF11CYP19A1ALDH1A1TSHR | |
| SCHEMBL29791400 | 0.72 | CYP19A1 (0.44) | KIF11CYP19A1 | |
| SCHEMBL3749196 | 0.71 | CYP11B1 (0.43) | KIF11CYP19A1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL30351745 | 0.70 | KIF11 (0.41) | KIF11CYP19A1TSHR | |
| SCHEMBL30327472 | 0.70 | TSHR (0.44) | KIF11CYP19A1ALDH1A1TSHR | |
| SCHEMBL30165101 | 0.69 | CYP11B1 (0.37) | KIF11CYP19A1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL28575509 | 0.69 | CYP19A1 (0.46) | KIF11CYP19A1 |
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-2023185073-A1 | PARP7 INHIBITOR AND USE THEREOF | 诺沃斯达药业(上海)有限公司 | 2023-10-05 | — | — | WO | disclosed |
| WO-2023109751-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF | 希格生科（深圳）有限公司 | 2023-06-22 | — | — | WO | disclosed |
| WO-2023006013-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2023-02-02 | — | — | WO | disclosed |