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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 6/20 | 0.45 |
| ▸ | CNR1 | P21554 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | YWHAB | P31946 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 SCHEMBL9309294 | 0.91 | CNR2 (0.44) | CNR2CNR1KDM4ECTSDHSD17B10 | |
| Iodide SCHEMBL9308413 | 0.90 | CNR1 (0.44) | CNR2CNR1KDM4ECTSDHSD17B10 | |
| Iodide SCHEMBL9306592 | 0.83 | SMN1; SMN2 (0.49) | CNR2PTPN1SMN1; SMN2 | |
| Iodide SCHEMBL9307293 | 0.83 | ALDH1A1 (0.48) | CNR2SMN1; SMN2 | |
| Iodide SCHEMBL9307358 | 0.83 | SMN1; SMN2 (0.49) | CNR2PTPN1SMN1; SMN2 | |
| Iodide SCHEMBL9307705 | 0.83 | ALDH1A1 (0.48) | CNR2SMN1; SMN2 | |
| Iodide SCHEMBL9306732 | 0.82 | CTSD (0.45) | CNR2CNR1CTSDHSD17B10 | |
| Iodide SCHEMBL9307591 | 0.80 | CNR2 (0.45) | CNR2CNR1HSD17B10ESR1YWHAB | |
| Iodide SCHEMBL9306194 | 0.80 | CNR2 (0.45) | CNR2CNR1ESR1YWHABPDK1 | |
| Iodide SCHEMBL9307783 | 0.79 | ALDH1A1 (0.46) | CNR2SMN1; SMN2 |
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-5328921-A | Antagonist of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1994-07-12 | — | — | US | disclosed |