Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30326126 | 1.00 | HPGD (0.47) | HPGDTDP1CYP1A2SMN1; SMN2CNR1 | |
| SCHEMBL13477894 | 0.80 | ROCK1 (0.46) | HPGDTDP1CYP1A2SMN1; SMN2CNR1 | |
| SCHEMBL28356006 | 0.78 | TDP1 (0.46) | HPGDTDP1CYP1A2SMN1; SMN2CNR1 | |
| SCHEMBL1518886 | 0.78 | GPR3 (0.55) | HPGDTDP1SMN1; SMN2GPR3ALDH1A1 | |
| SCHEMBL28907137 | 0.76 | TDP1 (0.42) | HPGDTDP1CNR1CNR2GPR3 | |
| SCHEMBL28519702 | 0.76 | TDP1 (0.42) | HPGDTDP1CYP1A2SMN1; SMN2CNR1 | |
| SCHEMBL28512646 | 0.76 | TDP1 (0.42) | HPGDTDP1CNR1CNR2ESR1 | |
| SCHEMBL28506836 | 0.76 | TDP1 (0.46) | HPGDTDP1SMN1; SMN2CNR1CNR2 | |
| SCHEMBL28515985 | 0.75 | TDP1 (0.59) | HPGDTDP1SMN1; SMN2CNR1CNR2 | |
| SCHEMBL28512211 | 0.75 | HPGD (0.43) | HPGDTDP1CYP1A2SMN1; SMN2GPR3 |
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-116082296-A | Method for preparing 3-halogenated benzothiophene compound by potassium monopersulfate catalysis method | 浙江医药股份有限公司新昌制药厂 | 2023-05-09 | — | — | CN | disclosed |