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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 SCHEMBL4652115 | 0.87 | SLC18A3 (0.51) | OPRL1SLC18A3HPGDALDH1A1KDM4E | |
| SCHEMBL4652116 | 0.85 | SLC18A3 (0.53) | OPRL1SLC18A3HPGDALDH1A1KDM4E | |
| SCHEMBL4654468 | 0.83 | HPGD (0.46) | HPGDALDH1A1KDM4ECHKASMN1; SMN2 | |
| SCHEMBL64063 | 0.80 | KDM4E (0.56) | SLC18A3HPGDALDH1A1KDM4EATM | |
| SCHEMBL15214831 | 0.75 | ALDH1A1 (0.56) | HPGDALDH1A1KDM4EATMGAA | |
| SCHEMBL24244959 | 0.74 | HSD17B10 (0.48) | SLC18A3HPGDALDH1A1KDM4EATM | |
| SCHEMBL16684739 | 0.72 | HDAC8 (0.61) | HPGDALDH1A1KDM4EATMGAA | |
| SCHEMBL7317032 | 0.72 | ALDH1A1 (0.52) | OPRL1ALDH1A1KDM4EATMSMN1; SMN2 | |
| SCHEMBL2944396 | 0.71 | ALDH1A1 (0.59) | HPGDALDH1A1KDM4EATMGAA | |
| SCHEMBL1790000 | 0.71 | ALDH1A1 (0.59) | HPGDALDH1A1KDM4EATMGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1254124-A1 | DIPEPTIDE NITRILE CATHPSIN K INHIBITORS | Novartis AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058886-A1 | DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS | NOVARTIS AG (CH) | 2001-08-16 | — | — | WO | disclosed |