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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.34 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11872463 | 0.75 | HRH4 (0.38) | HRH4DRD1DRD3DRD2DRD4 | |
| SCHEMBL7420397 | 0.75 | NOS2 (0.49) | HRH4DRD1DRD3DRD2DRD4 | |
| Iodide SCHEMBL7585154 | 0.72 | BACE1 (0.34) | DRD1DRD3DRD2TRPA1LMNA | |
| SCHEMBL11855700 | 0.71 | HRH4 (0.66) | HRH4DRD1DRD3DRD2DRD4 | |
| SCHEMBL11877889 | 0.67 | HRH4 (0.49) | HRH4DRD1DRD3DRD2DRD4 | |
| SCHEMBL10026452 | 0.67 | HRH4 (0.40) | HRH4TRPA1NOS3NOS2LMNA | |
| SCHEMBL9409761 | 0.65 | HRH1 (0.47) | HRH4DRD1DRD3DRD2DRD4 | |
| SCHEMBL30310960 | 0.65 | HRH1 (0.47) | HRH4DRD1DRD3DRD2DRD4 | |
| SCHEMBL11861754 | 0.65 | TRPA1 (0.55) | HRH4DRD1DRD3DRD2DRD4 | |
| SCHEMBL3290813 | 0.64 | MAOA (0.46) | HRH4DRD1DRD3DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000073312-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |