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 | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3528166 | 0.87 | — | — | |
| SCHEMBL4067666 | 0.85 | HDAC8 (0.88) | HDAC8KCNH2KDM4EAPOBEC3AAPOBEC3G | |
| Iodide SCHEMBL30133746 | 0.69 | HDAC8 (0.95) | HDAC8KDM4EALDH1A1CTDSP1APOBEC3A | |
| Propyne SCHEMBL27606886 | 0.66 | — | — | |
| SCHEMBL8988114 | 0.66 | HDAC8 (1.00) | HDAC8KCNH2KDM4EALDH1A1CTDSP1 | |
| SCHEMBL862249 | 0.66 | — | — | |
| SCHEMBL4072516 | 0.66 | KCNH2 (0.64) | HDAC8KCNH2KDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5833068 | 0.65 | HDAC8 (0.95) | HDAC8KCNH2KDM4ESMN1; SMN2 | |
| Phenylacetylene SCHEMBL28907737 | 0.63 | CYP1A1 (0.41) | HDAC8ALDH1A1 | |
| SCHEMBL28990980 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7667040-B2 | Azacyclic ethynyl derivatives | NEUROSEARCH A/S (DK) | 2010-02-23 | — | — | US | disclosed |
| US-20080188519-A1 | Novel azacyclic ethynyl derivatives | ANIONA APS (DK) | 2008-08-07 | — | — | US | disclosed |
| EP-1506205-B1 | NOVEL AZACYCLIC ETHYNYL DERIVATIVES | NEUROSEARCH AS (DK) | 2008-07-16 | — | — | EP | disclosed |
| US-7378526-B2 | Azacyclic ethynyl derivatives | NEUROSEARCH A/S (DK) | 2008-05-27 | — | — | US | disclosed |
| US-20050171078-A1 | Novel azacyclic ethynyl derivatives | NEUROSEARCH (DK) | 2005-08-04 | — | — | US | disclosed |
| EP-1506205-A2 | NOVEL AZACYCLIC ETHYNYL DERIVATIVES | NEUROSEARCH A/S (DK) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003094830-A2 | NOVEL AZACYCLIC ETHYNYL DERIVATIVES | NEUROSEARCH A/S (DK) | 2003-11-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050171078-A1 | Novel azacyclic ethynyl derivatives | CHRNA6, CHRNA5, CHRNA10 | HDAC8 1302/4885KCNH2 886/4885KDM4E 1343/4885 |
| US-20080188519-A1 | Novel azacyclic ethynyl derivatives | CHRNA6, CHRNA10, CHRNA5 | HDAC8 1319/4885KCNH2 1154/4885KDM4E 1674/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.