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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17633946 | 0.78 | TSHR (0.50) | ALDH1A1HTTTSHRHSD17B10KMT2A | |
| Iodide SCHEMBL9867080 | 0.77 | LMNA (0.34) | ALDH1A1HTTKMT2ASMN1; SMN2MAPT | |
| Iodide SCHEMBL10386289 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TSHRKMT2AMAPTHPGD | |
| SCHEMBL11166015 | 0.72 | ALDH1A1 (0.33) | ALDH1A1HTTKMT2ASMN1; SMN2MAPT | |
| SCHEMBL11156378 | 0.72 | FDPS (0.34) | ALDH1A1TSHRHSD17B10KMT2ASMN1; SMN2 | |
| Iodide SCHEMBL7279091 | 0.71 | ALDH1A1 (0.47) | ALDH1A1HTTTSHRKMT2ASMN1; SMN2 | |
| Iodide SCHEMBL7279922 | 0.70 | SMN1; SMN2 (0.47) | ALDH1A1HTTKMT2ASMN1; SMN2HPGD | |
| SCHEMBL9217829 | 0.70 | ALDH1A1 (0.47) | ALDH1A1HTTTSHRHSD17B10KMT2A | |
| SCHEMBL11388497 | 0.69 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11155957 | 0.69 | ALDH1A1 (0.33) | ALDH1A1HTTKMT2ASMN1; SMN2MAPT |
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-5021431-A | H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion | HEUMANN PHARMA GMBH & CO. (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0199845-B1 | IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HEUMANN PHARMA GMBH & CO (DE) | 1990-08-01 | — | — | EP | disclosed |