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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3698883 | 0.81 | CA12 (0.37) | LMNAKDM4EALDH1A1GAAKMT2A | |
| Iodide SCHEMBL28887683 | 0.81 | KDM4E (0.40) | LMNAKDM4EALDH1A1GAAKMT2A | |
| Iodide SCHEMBL29405935 | 0.81 | KDM4E (0.40) | LMNAKDM4EALDH1A1GAAKMT2A | |
| SCHEMBL4299024 | 0.79 | KDM4E (0.41) | LMNAKDM4EALDH1A1GAAKMT2A | |
| SCHEMBL28426315 | 0.79 | BRD4 (0.38) | LMNAKDM4EALDH1A1GAAKMT2A | |
| SCHEMBL1352936 | 0.78 | NOTUM (0.44) | LMNAKDM4EALDH1A1TSHRNOTUM | |
| SCHEMBL30293250 | 0.75 | GSK3A (0.42) | LMNAKDM4EALDH1A1GAATSHR | |
| SCHEMBL28611007 | 0.75 | KDM4E (0.36) | LMNAKDM4EALDH1A1GAAKMT2A | |
| Iodide SCHEMBL28915713 | 0.75 | HSD17B3 (0.40) | LMNAKDM4EALDH1A1GAAKMT2A | |
| SCHEMBL23346796 | 0.73 | MAPT (0.39) | LMNAKDM4EALDH1A1GAAKMT2A |
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-109988093-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-04-07 | — | — | CN | disclosed |