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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | NPY5R | Q15761 | 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 SCHEMBL8598788 | 0.80 | ACHE (0.31) | — | |
| Iodide SCHEMBL8602274 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL9220648 | 0.67 | CTSS (0.55) | CTSSCES1DAGLAADORA2AIDH1 | |
| SCHEMBL29988787 | 0.67 | CTSS (0.55) | CTSSCES1DAGLAADORA2AIDH1 | |
| SCHEMBL1771966 | 0.65 | CTSS (0.53) | CTSSCES1ADORA2AIDH1NPY5R | |
| SCHEMBL317148 | 0.63 | KMT2A (0.60) | CTSSDAGLAADORA2A | |
| SCHEMBL8406858 | 0.62 | IDH1 (0.53) | CTSSCES1DAGLAADORA2AIDH1 | |
| SCHEMBL995983 | 0.61 | SOS2 (0.50) | CTSSAHRIDH1NPY5R | |
| SCHEMBL994386 | 0.60 | KDM4E (0.63) | CTSS | |
| SCHEMBL2163224 | 0.60 | CES1 (0.44) | CTSSCES1DAGLAADORA2AIDH1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |