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 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 8/20 | 0.40 |
| ▸ | NPC1 | O15118 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | 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 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL13215505 | 0.98 | — | — | |
| Bromide SCHEMBL11484493 | 0.95 | NPC1 (0.41) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| Benzene SCHEMBL9542509 | 0.95 | KDM4E (0.42) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL1626166 | 0.90 | KDM4E (0.36) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL27689587 | 0.77 | NPC1 (0.46) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL135136 | 0.74 | — | — | |
| Iodide SCHEMBL4316516 | 0.74 | RAB9A (0.57) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL5513956 | 0.74 | SMN1; SMN2 (0.56) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL5522400 | 0.74 | SMN1; SMN2 (0.56) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL5535221 | 0.74 | SMN1; SMN2 (0.56) | KDM4ERAB9ANPC1SMN1; SMN2KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7244846-B2 | Substituted benzofuran-2-carboxamides derivatives | MERCK PATENT GMBH (DE) | 2007-07-17 | — | — | US | disclosed |
| US-20050075269-A1 | N-(2-methoxyethyl)-5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}benzofuran-2-carboxamide; serotonin receptor antagonists, treating depression, anxiety states, panic attacks, obsessive-compulsive disorders, psychiatric illnesses, cerebral infarction, cerebral ischaemia, anxiolytic agents | MERCK PATENT GMBH (DE) | 2005-04-07 | — | — | US | disclosed |
| EP-1368346-A1 | SUBSTITUTED BENZOFURAN-2-CARBOXAMIDES DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002083666-A1 | SUBSTITUTED BENZOFURAN-2-CARBOXAMIDES DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-10-24 | — | — | WO | disclosed |
| US-4411684-A | Auxin compositions of N-phenyl and N-chloro phenyl indolyl-3-alkylene amides and their use as auxin growth regulators | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1983-10-25 | — | — | US | 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 (1 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-20050075269-A1 | N-(2-methoxyethyl)-5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}benzofuran-2-carboxamide; serotonin receptor antagonists, treating depression, anxiety states, panic attacks, obsessive-compulsive disorders, psychiatric illnesses, cerebral infarction, cerebral ischaemia, anxiolytic agents | NPY2R, HTR1A, NPY1R | KDM4E 1673/4885RAB9A 3761/4885NPC1 460/4885 |
“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.