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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 10/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 SCHEMBL8534944 | 0.81 | CYP26A1 (0.39) | — | |
| Iodide SCHEMBL9133365 | 0.81 | CYP19A1 (0.61) | ACHE | |
| Iodide SCHEMBL4621278 | 0.81 | CYP24A1 (0.61) | ACHE | |
| SCHEMBL11239357 | 0.78 | ACHE (0.47) | ACHE | |
| SCHEMBL7249948 | 0.77 | ACHE (0.64) | ACHE | |
| Iodomethane SCHEMBL11734699 | 0.77 | METAP1 (0.52) | ACHE | |
| SCHEMBL10427019 | 0.76 | ACHE (0.48) | ACHE | |
| Iodide SCHEMBL9134607 | 0.75 | CYP26A1 (0.63) | — | |
| Iodide SCHEMBL9132621 | 0.75 | CYP19A1 (0.42) | — | |
| Iodide SCHEMBL9134076 | 0.75 | CYP19A1 (0.40) | — |
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-5405872-A | Anti-hypertensive tetralins | BURROUGHS WELLCOME CO. (US) | 1995-04-11 | — | — | US | disclosed |