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 | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | HTR2C | P28335 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 SCHEMBL29763642 | 0.82 | MEN1 (0.54) | KMT2AMEN1TDP1KDM4EMAPT | |
| SCHEMBL4856328 | 0.81 | MEN1 (0.56) | KMT2AMEN1TDP1KDM4EMAPT | |
| SCHEMBL28795459 | 0.80 | KMT2A (0.49) | KMT2AMEN1TDP1KDM4EMAPT | |
| SCHEMBL29763644 | 0.78 | HTR2A (0.63) | HTR2AHTR2CKMT2ACDK4CCND1 | |
| SCHEMBL25798844 | 0.78 | HTR2A (0.63) | HTR2AHTR2CKMT2ACDK4CCND1 | |
| SCHEMBL28920617 | 0.63 | HTR2A (0.55) | HTR2AHTR2CKMT2AMEN1CDK4 | |
| SCHEMBL11709817 | 0.62 | HTR2A (0.54) | HTR2AHTR2CCDK4CCND1TNF | |
| SCHEMBL25798838 | 0.62 | CSNK1D (0.49) | HTR2AHTR2CKMT2AMEN1CDK4 | |
| SCHEMBL11081014 | 0.61 | ADRA2A (0.50) | HTR2AHTR2CCDK4CCND1 | |
| SCHEMBL30539936 | 0.60 | KDM4E (0.46) | HTR2AHTR2CKMT2AHTR2BKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114656450-A | Preparation method and application of N ^ N ^ N ligand with ultraviolet-visible absorption and fluorescence luminescence characteristics | 中山大学 | 2022-06-24 | — | — | CN | claimed |