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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL33276 | 0.98 | — | — | |
| SCHEMBL29738346 | 0.98 | — | — | |
| Bromide SCHEMBL7343481 | 0.95 | MAOB (0.56) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| Methane SCHEMBL28252202 | 0.95 | MAOB (0.56) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| Hydrochloric Acid SCHEMBL2870154 | 0.95 | MAOB (0.59) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| Cyanide SCHEMBL27784306 | 0.91 | MAOB (0.52) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| SCHEMBL13484318 | 0.85 | MAOA (0.56) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| SCHEMBL10554547 | 0.84 | MAOA (0.46) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| SCHEMBL7205168 | 0.84 | ALDH1A1 (0.48) | MAOBMAOACYP19A1ALDH1A1KDM4E | |
| SCHEMBL10559386 | 0.81 | MAOA (0.43) | MAOBMAOACYP19A1CYP3A4CASP1 |
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-116406213-A | Chemical method for inhibiting ion diffusion in perovskite battery | 华东理工大学 | 2023-07-07 | — | — | CN | claimed |