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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LAP3 | P28838 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 2/20 | 0.32 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8528209 | 0.84 | HIF1A (0.35) | HIF1ATRPA1 | |
| Iodide SCHEMBL8528382 | 0.84 | HIF1A (0.35) | HIF1ATRPA1 | |
| Iodide SCHEMBL8533190 | 0.79 | ALDH1A1 (0.32) | HIF1AKDM4E | |
| Iodide SCHEMBL8529110 | 0.79 | ALDH1A1 (0.37) | HIF1AKDM4E | |
| Iodide SCHEMBL8532172 | 0.75 | HIF1A (0.35) | HIF1ACYP1A2CYP2D6 | |
| Bromide SCHEMBL8529190 | 0.74 | HIF1A (0.38) | HIF1ACYP1A2SNCACYP2D6TRPA1 | |
| Bromide SCHEMBL8529193 | 0.74 | HIF1A (0.38) | HIF1ACYP1A2SNCACYP2D6TRPA1 | |
| Iodide SCHEMBL8528328 | 0.73 | HIF1A (0.33) | HIF1A | |
| Iodide SCHEMBL8528522 | 0.72 | CYP2D6 (0.38) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Iodide SCHEMBL8529133 | 0.70 | TRPA1 (0.33) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |