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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | NPY1R | P25929 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2187532 | 0.93 | ITGB3 (0.50) | SMN1; SMN2NPC1RAB9AITGB3ITGA2B | |
| Iodide SCHEMBL2188411 | 0.86 | ITGB3 (0.49) | SMN1; SMN2NPC1RAB9AITGB3ITGA2B | |
| SCHEMBL2186839 | 0.82 | ITGB3 (0.47) | SMN1; SMN2NPC1RAB9AITGB3ITGA2B | |
| SCHEMBL2187323 | 0.82 | ITGB3 (0.47) | SMN1; SMN2NPC1RAB9AITGB3ITGA2B | |
| SCHEMBL2188227 | 0.81 | ITGB3 (0.47) | SMN1; SMN2NPC1RAB9AITGB3ITGA2B | |
| SCHEMBL17022998 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL2186640 | 0.78 | FKBP1A (0.47) | SMN1; SMN2NPC1RAB9AALDH1A1NPSR1 | |
| SCHEMBL12852803 | 0.77 | ALDH1A1 (0.47) | SMN1; SMN2NPC1RAB9AITGB3ITGA2B | |
| Iodide SCHEMBL2188646 | 0.76 | APOBEC3A (0.48) | SMN1; SMN2ITGB3ITGA2BKDM4EALDH1A1 | |
| SCHEMBL7283830 | 0.76 | MEN1 (0.56) | SMN1; SMN2NPC1RAB9AALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2341886-A1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NovaBay Pharmaceuticals, Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010054269-A1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NOVABAY PHARMACEUTICALS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |