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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 9/20 | 0.41 |
| ▸ | HTR1D | P28221 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 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 SCHEMBL9525155 | 0.93 | HPGD (0.44) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9525497 | 0.92 | HPGD (0.41) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9525064 | 0.91 | HTR1B (0.42) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9526359 | 0.89 | HTR1B (0.40) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9525294 | 0.88 | HPGD (0.38) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Hydrochloric Acid SCHEMBL9525181 | 0.86 | KDM4E (0.38) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9526181 | 0.85 | HTR1B (0.43) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9525321 | 0.83 | HTR1B (0.41) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9528176 | 0.78 | HPGD (0.42) | HPGDKDM4EALDH1A1HTR1BHTR1D | |
| Iodide SCHEMBL9526338 | 0.77 | ALDH1A1 (0.39) | HPGDKDM4EALDH1A1ACHEMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |