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 | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.96 |
| ▸ | NOS3 | P29474 | 9/20 | 0.52 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | GRK5 | P34947 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060969 | 0.98 | NOS2 (1.00) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL8195065 | 0.86 | NOS2 (0.79) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL28557410 | 0.71 | NOS2 (0.56) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL8104298 | 0.69 | NOS2 (0.55) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL13070848 | 0.69 | NOS2 (0.55) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL17807492 | 0.68 | NOS2 (0.53) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL8057615 | 0.68 | NOS2 (1.00) | NOS2NOS3ADRA2AADRA2BNOS1 | |
| SCHEMBL9216129 | 0.67 | NOS2 (0.51) | NOS2NOS3PLK4CHEK1AURKA | |
| SCHEMBL12158615 | 0.66 | NOS2 (0.50) | NOS2PLK4CHEK1AURKADAPK3 | |
| SCHEMBL17807494 | 0.66 | NOS2 (0.50) | NOS2MAP2K1MAP4K2 |
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-6063789-A | Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents | ASTRA PHARMACEUTICALS, LTD. (GB) | 2000-05-16 | — | — | US | disclosed |