Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL17092835 | 0.98 | MAOA (0.43) | MAOAGPR3ALDH1A1SMN1; SMN2GSK3B | |
| SCHEMBL16728889 | 0.96 | MAOA (0.45) | MAOAGPR3ALDH1A1SMN1; SMN2GSK3B | |
| SCHEMBL29814962 | 0.96 | MAOA (0.45) | MAOAGPR3ALDH1A1SMN1; SMN2GSK3B | |
| SCHEMBL347425 | 0.96 | MAOA (0.45) | MAOAGPR3ALDH1A1SMN1; SMN2GSK3B | |
| Sulfuric Acid SCHEMBL28551070 | 0.85 | BCHE (0.39) | MAOAALDH1A1SMN1; SMN2GSK3BMEN1 | |
| SCHEMBL11684678 | 0.85 | MAPT (0.41) | MAOAGPR3ALDH1A1SMN1; SMN2GSK3B | |
| SCHEMBL27383055 | 0.84 | BCHE (0.38) | MAOASMN1; SMN2GSK3BMEN1KMT2A | |
| SCHEMBL12264201 | 0.81 | MAOA (0.46) | MAOAGPR3ALDH1A1SMN1; SMN2GSK3B | |
| SCHEMBL28285820 | 0.80 | BCHE (0.36) | MAOAALDH1A1SMN1; SMN2GSK3BKDM4E | |
| Quinoline SCHEMBL27619256 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4EGAAHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111004229-B | Coumarin derivative for specifically identifying and distinguishing DNA (deoxyribonucleic acid) and RNA (ribonucleic acid), and preparation method and application thereof | 郑州大学 | 2021-02-05 | — | — | CN | claimed |
| CN-111004229-A | Coumarin derivative for specifically identifying and distinguishing DNA (deoxyribonucleic acid) and RNA (ribonucleic acid), and preparation method and application thereof | 郑州大学 | 2020-04-14 | — | — | CN | claimed |
| CN-111004229-B | Coumarin derivative for specifically identifying and distinguishing DNA (deoxyribonucleic acid) and RNA (ribonucleic acid), and preparation method and application thereof | 郑州大学 | 2021-02-05 | — | — | CN | disclosed |
| CN-111004229-A | Coumarin derivative for specifically identifying and distinguishing DNA (deoxyribonucleic acid) and RNA (ribonucleic acid), and preparation method and application thereof | 郑州大学 | 2020-04-14 | — | — | CN | disclosed |