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 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALPG | P10696 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL18740632 | 0.96 | HDAC8 (0.42) | HDAC8NNMTUSP2SLC22A2SLC22A1 | |
| Hydrochloric Acid SCHEMBL18740634 | 0.92 | HDAC8 (0.39) | HDAC8NNMTUSP2SLC22A2SLC22A1 | |
| Bromide SCHEMBL18740639 | 0.88 | HDAC8 (0.45) | HDAC8NNMTUSP2LMNABCHE | |
| Fluoride Ion SCHEMBL18740622 | 0.87 | HDAC8 (0.48) | HDAC8NNMTUSP2SLC22A2SLC22A1 | |
| Fluoride Ion SCHEMBL18740613 | 0.80 | HDAC8 (0.33) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL18740637 | 0.78 | APOBEC3A (0.32) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL18740652 | 0.78 | HDAC8 (0.46) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| Fluoride Ion SCHEMBL18740610 | 0.78 | HDAC8 (0.46) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL28610953 | 0.76 | SLC22A2 (0.48) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL9750658 | 0.74 | HDAC8 (0.48) | HDAC8NNMTUSP2LMNABCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017065702-A1 | METHOD OF SYNTHESIZING AND IDENTIFICATION OF THE NEW COMPONENT 4,4'-AZANEDIYLBIS(1-METHYLPYRIDINIUM) CHLORIDE 4,4',4''- NITRILOTRIS-(1-METHYLPYRIDINIUM) CHLORIDE AND ITS DERIVATIVE HERBICIDAL EFFECTS | DECHDAMRONGWUT, Dujdao (TH) | 2017-04-20 | — | — | WO | claimed |