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 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.31 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8597963 | 0.97 | ACHE (0.34) | ACHEBCHE | |
| Iodide SCHEMBL8597420 | 0.80 | CTSS (0.35) | — | |
| Iodide SCHEMBL8602274 | 0.78 | KDM4E (0.39) | — | |
| SCHEMBL29539234 | 0.63 | CCR1 (0.46) | — | |
| SCHEMBL229994 | 0.63 | CCR1 (0.46) | — | |
| SCHEMBL700152 | 0.61 | CCR1 (0.46) | — | |
| SCHEMBL31354842 | 0.61 | CCR1 (0.46) | — | |
| SCHEMBL3768 | 0.59 | MEN1 (0.68) | — | |
| SCHEMBL6745 | 0.59 | PARP1 (0.38) | — | |
| SCHEMBL1228840 | 0.59 | ALDH1A1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817774-A | Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods | STERLING WINTHROP INCORPORATION (US) | 1998-10-06 | — | — | US | disclosed |
| US-5760191-A | Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods | NYCOMED IMAGING AS (NO) | 1998-06-02 | — | — | US | disclosed |
| US-5707603-A | Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions | NYCOMED IMAGING AS (NO) | 1998-01-13 | — | — | US | disclosed |