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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 13/20 | 0.96 |
| ▸ | NOS2 | P35228 | 11/20 | 0.96 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060964 | 0.98 | NOS3 (1.00) | NOS3NOS2TSHRACHE | |
| SCHEMBL10481212 | 0.77 | NOS3 (0.65) | NOS3NOS2TSHRACHE | |
| SCHEMBL11742766 | 0.76 | NOS3 (0.62) | NOS3NOS2TSHRACHE | |
| SCHEMBL28177002 | 0.76 | NOS3 (0.62) | NOS3NOS2TSHRACHE | |
| SCHEMBL4258749 | 0.75 | NOS3 (0.57) | NOS3NOS2TSHR | |
| SCHEMBL11750271 | 0.75 | NOS3 (0.62) | NOS3NOS2TSHRACHE | |
| SCHEMBL8057421 | 0.74 | NOS3 (1.00) | NOS3NOS2TSHR | |
| Hydrochloric Acid SCHEMBL8105225 | 0.73 | NOS3 (0.96) | NOS3NOS2TSHR | |
| SCHEMBL251337 | 0.73 | NOS3 (1.00) | NOS3NOS2 | |
| SCHEMBL1341374 | 0.71 | NOS3 (0.57) | NOS3NOS2TSHR |
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-6063789-A | Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents | ASTRA PHARMACEUTICALS, LTD. (GB) | 2000-05-16 | — | — | US | disclosed |
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | disclosed |