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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 2/20 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8528382 | 0.85 | HIF1A (0.35) | PRSS1PRSS2PRSS3HIF1ACHRNA7 | |
| Iodide SCHEMBL8528209 | 0.85 | HIF1A (0.35) | PRSS1PRSS2PRSS3HIF1ACHRNA7 | |
| Iodide SCHEMBL8529400 | 0.79 | TAAR1 (0.33) | HIF1AKDM4E | |
| Iodide SCHEMBL8587769 | 0.79 | ALDH1A1 (0.34) | ALDH1A1PRSS1PRSS2PRSS3HIF1A | |
| Iodide SCHEMBL8533190 | 0.77 | ALDH1A1 (0.32) | ALDH1A1HIF1AMEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL8095273 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CA2CYP3A4PRSS1PRSS2 | |
| Bromide SCHEMBL8095563 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CA2CYP3A4PRSS1PRSS2 | |
| Iodide SCHEMBL8528328 | 0.74 | HIF1A (0.33) | HIF1AL3MBTL1 | |
| Iodide SCHEMBL8532172 | 0.73 | HIF1A (0.35) | HIF1ACHRNA7 | |
| Bromide SCHEMBL8529190 | 0.72 | HIF1A (0.38) | ALDH1A1HIF1ALMNATRAP1 |
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 |