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 | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL190568 | 0.97 | CHRNA7 (0.50) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| Hydrochloric Acid SCHEMBL3732680 | 0.95 | CHRNA7 (0.48) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| Bromide SCHEMBL3731956 | 0.95 | CHRNA7 (0.48) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| SCHEMBL12205477 | 0.88 | CHRNA7 (0.43) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| Acetone SCHEMBL7727826 | 0.88 | CHRNA7 (0.48) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| SCHEMBL11670185 | 0.82 | — | — | |
| SCHEMBL4790280 | 0.81 | CHRNA7 (0.38) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| SCHEMBL3735005 | 0.80 | CHRNA7 (0.41) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| SCHEMBL20609773 | 0.77 | CHRNA7 (0.32) | CHRNA7ALDH1A1GAAL3MBTL1THRB | |
| SCHEMBL27811278 | 0.77 | CHRNA7 (0.37) | CHRNA7ALDH1A1GAAL3MBTL1THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1448524-A1 | PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | AstraZeneca AB (SE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003042177-A1 | PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) | ASTRAZENECA AB (SE) | 2003-05-22 | — | — | WO | disclosed |