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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30100131 | 0.98 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| SCHEMBL70062 | 0.98 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| Hydrochloric Acid SCHEMBL28474586 | 0.96 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| Bromide SCHEMBL28548971 | 0.96 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| Chloroform SCHEMBL28924204 | 0.90 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| Carbon Tetrachloride SCHEMBL28843931 | 0.90 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| Sulfamate SCHEMBL28050146 | 0.86 | ALDH1A1 (0.51) | ALDH1A1TSHRHPGDL3MBTL1CYP2C19 | |
| SCHEMBL1814444 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| SCHEMBL30178336 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDHTTHSD17B10 | |
| SCHEMBL28341923 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TSHRHPGDHTTL3MBTL1 |
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-5204358-A | Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases | MERCK FROSST CANADA, INC. (CA) | 1993-04-20 | — | — | US | disclosed |
| US-5104882-A | Leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1992-04-14 | — | — | US | disclosed |
| EP-0399818-A1 | Diarylstyrylquinoline diacids | MERCK FROSST CANADA INC. (CA) | 1990-11-28 | — | — | EP | disclosed |