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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 13/20 | 0.53 |
| ▸ | PSEN2 | P49810 | 13/20 | 0.53 |
| ▸ | APH1B | Q8WW43 | 13/20 | 0.53 |
| ▸ | NCSTN | Q92542 | 13/20 | 0.53 |
| ▸ | APH1A | Q96BI3 | 13/20 | 0.53 |
| ▸ | PSENEN | Q9NZ42 | 13/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6397779 | 0.96 | PSEN1 (0.56) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL6401528 | 0.89 | PSEN1 (0.54) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL7537551 | 0.88 | PSEN1 (0.63) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL6395514 | 0.87 | PSEN1 (0.51) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6394506 | 0.86 | PSEN1 (0.59) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL6392780 | 0.86 | PSEN1 (0.52) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL6400279 | 0.85 | PSEN1 (0.58) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6392091 | 0.85 | PSEN1 (0.58) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL6400101 | 0.85 | PSEN1 (0.57) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL6392660 | 0.84 | PSEN1 (0.58) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-1159263-A1 | NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF | Merck & Co., Inc. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000050391-A1 | NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF | MERCK & CO., INC. (US) | 2000-08-31 | — | — | WO | disclosed |