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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.60 |
| ▸ | PPARG | P37231 | 6/20 | 0.54 |
| ▸ | PPARA | Q07869 | 3/20 | 0.50 |
| ▸ | EPOR | P19235 | 1/20 | 0.50 |
| ▸ | LAP3 | P28838 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6171868 | 0.99 | LTA4H (0.61) | LTA4HPPARGPPARAEPORLAP3 | |
| SCHEMBL3660194 | 0.85 | LTA4H (0.65) | LTA4HPPARGPPARALAP3MAOB | |
| SCHEMBL10441763 | 0.84 | LTA4H (0.64) | LTA4HPPARGPPARALAP3MAOB | |
| SCHEMBL8214773 | 0.81 | LTA4H (0.61) | LTA4HPPARGPPARAEPORLAP3 | |
| SCHEMBL3718057 | 0.81 | LTA4H (0.61) | LTA4HPPARGPPARAEPORLAP3 | |
| SCHEMBL2164928 | 0.79 | LTA4H (0.72) | LTA4HPPARGPPARAEPORLAP3 | |
| SCHEMBL6732617 | 0.79 | LTA4H (0.72) | LTA4HPPARGPPARAEPORLAP3 | |
| SCHEMBL5309375 | 0.79 | LTA4H (0.72) | LTA4HPPARGPPARAEPORLAP3 | |
| SCHEMBL21366441 | 0.79 | LTA4H (0.68) | LTA4HPPARGPPARALAP3MAOB | |
| SCHEMBL27977003 | 0.79 | LTA4H (0.68) | LTA4HPPARGPPARALAP3MAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6136842-A | INHIBITION OF ENDOTHELIN-CONVERTING ENZYME | HOECHST MARION ROUSSEL (FR) | 2000-10-24 | — | — | US | disclosed |