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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTR1B | P28222 | 8/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 SCHEMBL9524406 | 0.94 | KDM4E (0.38) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| SCHEMBL9525317 | 0.82 | KDM4E (0.39) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| SCHEMBL9525095 | 0.81 | CFTR (0.42) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| Iodide SCHEMBL9525273 | 0.80 | KDM4E (0.36) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| SCHEMBL9525232 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| Iodide SCHEMBL9528125 | 0.77 | KDM4E (0.42) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| Iodide SCHEMBL9523929 | 0.76 | KDM4E (0.41) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| SCHEMBL9523896 | 0.76 | KDM4E (0.43) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| Hydrochloric Acid SCHEMBL9525167 | 0.75 | KDM4E (0.42) | KDM4EALDH1A1HPGDKMT2AHTR1B | |
| Hydrochloric Acid SCHEMBL9525954 | 0.74 | KDM4E (0.41) | KDM4EALDH1A1HPGDKMT2AHTR1B |
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 |