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 | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 SCHEMBL8532159 | 0.89 | HIF1A (0.34) | ALDH1A1 | |
| Iodide SCHEMBL8040082 | 0.85 | CYP17A1 (0.37) | ACP3ALDH1A1PBRM1L3MBTL1BACE1 | |
| Iodide SCHEMBL8531750 | 0.79 | IDO1 (0.33) | — | |
| Iodide SCHEMBL8529107 | 0.78 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1LMNAMAPTKMT2A | |
| Iodide SCHEMBL8528705 | 0.75 | HIF1A (0.38) | ALDH1A1TSHRCHRNA7 | |
| Iodide SCHEMBL8038349 | 0.72 | LMNA (0.33) | LMNA | |
| Iodide SCHEMBL8528561 | 0.72 | HIF1A (0.34) | — | |
| Iodide SCHEMBL9850852 | 0.71 | HIF1A (0.33) | — | |
| Iodide SCHEMBL8531789 | 0.71 | HIF1A (0.33) | — | |
| Iodide SCHEMBL8528522 | 0.70 | CYP2D6 (0.38) | L3MBTL1SLC6A3SLC6A4 |
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 4 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 |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |