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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 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 SCHEMBL8528561 | 0.80 | HIF1A (0.34) | HIF1A | |
| Iodide SCHEMBL8528371 | 0.79 | HIF1A (0.54) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL8531961 | 0.79 | HIF1A (0.54) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL8531789 | 0.76 | HIF1A (0.33) | HIF1A | |
| Iodide SCHEMBL9850852 | 0.76 | HIF1A (0.33) | HIF1A | |
| Benzene SCHEMBL8532175 | 0.74 | LMNA (0.31) | HIF1A | |
| Iodide SCHEMBL8038400 | 0.73 | HIF1A (0.50) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Ethane SCHEMBL8528213 | 0.72 | LMNA (0.31) | HIF1A | |
| Iodide SCHEMBL8528522 | 0.72 | CYP2D6 (0.38) | HIF1ACYP1A2CYP2D6 | |
| Iodide SCHEMBL8528374 | 0.71 | HIF1A (0.33) | HIF1A |
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 |