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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.59 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CHAT | P28329 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628810 | 0.98 | HDAC8 (0.61) | HDAC8APPKCNH2CHATNPC1 | |
| SCHEMBL13628830 | 0.78 | APP (0.55) | HDAC8APPKCNH2NPC1MTOR | |
| SCHEMBL4067660 | 0.78 | APP (0.60) | HDAC8APPKCNH2CHATNPC1 | |
| SCHEMBL13628918 | 0.77 | HDAC8 (0.47) | HDAC8APPKCNH2MAPTCA12 | |
| Iodide SCHEMBL8404077 | 0.77 | HDAC8 (0.96) | HDAC8RAB9AMAPTNNMT | |
| SCHEMBL8987968 | 0.74 | HDAC8 (1.00) | HDAC8MAPTNNMT | |
| SCHEMBL8731836 | 0.74 | — | — | |
| SCHEMBL7702350 | 0.74 | — | — | |
| Diphenylacetylene SCHEMBL27492171 | 0.74 | APP (0.92) | APPKCNH2NPC1MTORRAB9A | |
| Diphenylacetylene SCHEMBL28323591 | 0.71 | APP (0.86) | APPKCNH2NPC1MTORRAB9A |
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 1302/4885APP 3548/4885KCNH2 886/4885 |
| US-20080188519-A1 | Novel azacyclic ethynyl derivatives | CHRNA6, CHRNA10, CHRNA5 | HDAC8 1319/4885APP 3483/4885KCNH2 1154/4885 |
“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.