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 | |
|---|---|---|---|---|
| ▸ | APOBEC3A | P31941 | 5/20 | 0.61 |
| ▸ | APOBEC3G | Q9HC16 | 5/20 | 0.61 |
| ▸ | CTDSP1 | Q9GZU7 | 4/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CCR1 | P32246 | 5/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.36 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19420726 | 0.76 | CTDSP1 (1.00) | APOBEC3AAPOBEC3GCTDSP1POLBKMT2A | |
| Hydrochloric Acid SCHEMBL9635896 | 0.67 | CTDSP1 (0.51) | APOBEC3AAPOBEC3GCTDSP1POLBKMT2A | |
| SCHEMBL11552985 | 0.66 | CTDSP1 (0.50) | APOBEC3AAPOBEC3GCTDSP1POLBKMT2A | |
| Iodide SCHEMBL30865827 | 0.65 | CTDSP1 (0.50) | APOBEC3AAPOBEC3GCTDSP1POLBKMT2A | |
| Hydrochloric Acid SCHEMBL11554319 | 0.65 | CTDSP1 (0.49) | APOBEC3AAPOBEC3GCTDSP1POLBKMT2A | |
| SCHEMBL42781 | 0.64 | PTGDR2 (0.48) | PTGDR2 | |
| SCHEMBL11770973 | 0.64 | TSHR (0.41) | POLBKMT2APTGDR2 | |
| Oxapium SCHEMBL1316687 | 0.63 | CTDSP1 (0.49) | APOBEC3AAPOBEC3GCTDSP1POLBKMT2A | |
| Benzene SCHEMBL27853973 | 0.63 | PTGDR2 (0.52) | POLBKMT2ATDP1PTGDR2 | |
| SCHEMBL779938 | 0.62 | CHRNB4 (0.46) | KMT2APTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-58026879-A | — | — | None | — | — | JP | disclosed |
| JP-S5826879-A | SEPARATION OF STERIC ISOMER OF 1-((2-CYCLOHEXYL-2-PHENYL 1,3-DIOXOLAN-4-YL)METHYL)-1-METHYLPIPERIDINIUM IODIDE | FUJIREBIO INC | 1983-02-17 | — | — | JP | disclosed |