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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8754136 | 0.98 | CYP2A6 (0.37) | ACHEPTPN1CYP2A6SMN1; SMN2KDM4E | |
| SCHEMBL8727736 | 0.91 | ACHE (0.33) | ACHEPTPN1CYP2A6SMN1; SMN2KDM4E | |
| SCHEMBL10168165 | 0.84 | CYP2A6 (0.40) | ACHEPTPN1CYP2A6SMN1; SMN2KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL4887199 | 0.81 | KCNH2 (0.42) | ACHEKDM4EALDH1A1KCNH2 | |
| SCHEMBL6088423 | 0.76 | ALDH1A1 (0.36) | CYP2A6KDM4EMAPTALDH1A1CYP3A4 | |
| Iodide SCHEMBL6660743 | 0.76 | KDM4E (0.40) | CYP2A6SMN1; SMN2KDM4EMAPTALDH1A1 | |
| Iodide SCHEMBL2031115 | 0.72 | ACHE (0.50) | ACHESMN1; SMN2KDM4EMAPTALDH1A1 | |
| Iodide SCHEMBL30841278 | 0.72 | ACHE (0.50) | ACHESMN1; SMN2KDM4EMAPTALDH1A1 | |
| SCHEMBL384487 | 0.71 | TERT (0.43) | ACHEPTPN1CYP2A6SMN1; SMN2KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL4884747 | 0.70 | KCNH2 (0.41) | ACHEKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112679474-B | Ratio type fluorescent probe and preparation method and application thereof | 南方医科大学顺德医院(佛山市顺德区第一人民医院) | 2022-03-04 | — | — | CN | disclosed |
| CN-112679474-A | Ratio type fluorescent probe and preparation method and application thereof | 南方医科大学顺德医院(佛山市顺德区第一人民医院) | 2021-04-20 | — | — | CN | disclosed |