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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
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 SCHEMBL31026694 | 1.00 | KDM4E (0.42) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL642718 | 0.98 | TP53 (0.40) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL29561021 | 0.98 | TP53 (0.40) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL30330520 | 0.95 | KDM4E (0.39) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL9327099 | 0.95 | KDM4E (0.39) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| Bromide SCHEMBL15941654 | 0.95 | NPC1 (0.41) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL30330585 | 0.91 | KDM4E (0.40) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL29252174 | 0.85 | PSIP1 (0.35) | KDM4ENPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL29252178 | 0.85 | KDM4E (0.36) | KDM4E | |
| Acetic Acid SCHEMBL30212807 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985555-A | MICROBIOCIDES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-01-15 | — | — | US | disclosed |
| US-4871730-A | MICROBIOCIDES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-10-03 | — | — | US | disclosed |
| EP-0268307-A2 | New starting compounds for cephem compounds and processes for their preparation | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1988-05-25 | — | — | EP | disclosed |
| EP-0133678-A2 | New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-03-06 | — | — | EP | disclosed |