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 | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.52 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2750490 | 0.98 | HDAC8 (0.53) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| SCHEMBL30307002 | 0.77 | — | — | |
| SCHEMBL16673992 | 0.76 | HDAC8 (0.52) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| SCHEMBL486914 | 0.74 | — | — | |
| Fluoride Ion SCHEMBL1896837 | 0.72 | HDAC8 (0.48) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| SCHEMBL16673901 | 0.72 | HDAC8 (0.48) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| SCHEMBL16674097 | 0.72 | HDAC8 (0.48) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| SCHEMBL372970 | 0.71 | HDAC8 (0.46) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| Fluoride Ion SCHEMBL1898517 | 0.69 | HDAC8 (0.45) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 | |
| SCHEMBL1829114 | 0.69 | APOBEC3A (0.46) | HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993023402-A1 | 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-11-25 | — | — | WO | disclosed |