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 | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 6/20 | 0.39 |
| ▸ | CYP24A1 | Q07973 | 4/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | CYP27A1 | Q02318 | 2/20 | 0.34 |
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 SCHEMBL9134522 | 0.81 | ACHE (0.47) | — | |
| Iodide SCHEMBL9134076 | 0.78 | CYP19A1 (0.40) | CYP26A1CYP19A1 | |
| Iodide SCHEMBL9134607 | 0.78 | CYP26A1 (0.63) | CYP26A1CYP24A1CYP19A1CYP27A1 | |
| Iodide SCHEMBL9132621 | 0.78 | CYP19A1 (0.42) | CYP26A1CYP24A1CYP19A1CYP27A1 | |
| SCHEMBL11723357 | 0.77 | THRA (0.52) | — | |
| Iodide SCHEMBL9133212 | 0.77 | CYP19A1 (0.54) | CYP19A1 | |
| Iodide SCHEMBL4621278 | 0.76 | CYP24A1 (0.61) | CYP26A1CYP24A1CYP19A1CYP27A1 | |
| Iodide SCHEMBL9133365 | 0.76 | CYP19A1 (0.61) | CYP26A1CYP24A1CYP19A1CYP27A1 | |
| SCHEMBL8535491 | 0.76 | IMPDH2 (0.40) | CYP26A1CYP24A1CYP19A1CYP27A1 | |
| SCHEMBL8534684 | 0.76 | DGAT1 (0.50) | CYP26A1CYP24A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5847159-A | 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0825180-A1 | 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |