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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.61 |
| ▸ | METAP1 | P53582 | 2/20 | 0.51 |
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.49 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
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 SCHEMBL4621278 | 0.90 | CYP24A1 (0.61) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| Iodide SCHEMBL9134522 | 0.81 | ACHE (0.47) | ACHE | |
| SCHEMBL11011369 | 0.81 | METAP1 (0.76) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| Iodide SCHEMBL9134076 | 0.81 | CYP19A1 (0.40) | CYP19A1METAP1CYP26A1 | |
| Iodide SCHEMBL9132621 | 0.81 | CYP19A1 (0.42) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| Hydrochloric Acid SCHEMBL4623159 | 0.80 | METAP1 (0.78) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL8599809 | 0.80 | CYP19A1 (0.62) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL9430945 | 0.79 | CYP19A1 (0.61) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL7249809 | 0.79 | CYP19A1 (0.80) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL8028175 | 0.79 | CYP19A1 (0.61) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 |
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-5405872-A | Anti-hypertensive tetralins | BURROUGHS WELLCOME CO. (US) | 1995-04-11 | — | — | US | disclosed |
| EP-0549668-A1 | ANTI-HYPERTENSIVE TETRALINS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-07 | — | — | EP | disclosed |
| WO-1992005143-A1 | ANTI-HYPERTENSIVE TETRALINS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-02 | — | — | WO | disclosed |