Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | WNT3A | P56704 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | ADH5 | P11766 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29276031 | 0.81 | S1PR1 (0.35) | HSD17B1HSD17B2WNT3AESR2KIF11 | |
| SCHEMBL14832293 | 0.79 | CYP11B1 (0.56) | HSD17B1HSD17B2PDE3BPDE3AS1PR1 | |
| SCHEMBL28415938 | 0.78 | HSD17B1 (0.59) | HSD17B1HSD17B2ESR2ARKIF11 | |
| SCHEMBL5792355 | 0.78 | GLA (0.54) | HSD17B1HSD17B2ESR2ARKIF11 | |
| SCHEMBL31256038 | 0.78 | GLA (0.54) | HSD17B1HSD17B2ESR2ARKIF11 | |
| SCHEMBL319582 | 0.75 | SCN9A (0.41) | WNT3AKIF11S1PR1 | |
| SCHEMBL321081 | 0.75 | SCN9A (0.41) | WNT3AKIF11S1PR1 | |
| SCHEMBL1802128 | 0.75 | ALOX5 (0.59) | HSD17B1HSD17B2ESR2ARKIF11 | |
| SCHEMBL29131926 | 0.75 | ALOX5AP (0.50) | KIF11S1PR1 | |
| SCHEMBL27870662 | 0.74 | HSD17B1 (0.55) | HSD17B1HSD17B2ESR2ARKIF11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116969920-A | Fused pyridazine derivative, preparation method and medical application thereof | 上海辉启生物医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |