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 | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169888 | 0.99 | FOLH1 (0.45) | FOLH1ALDH1A1POLBMAPTMEN1 | |
| Iodide SCHEMBL401190 | 0.83 | HDAC1 (0.46) | ALDH1A1POLBMEN1KMT2AGLA | |
| SCHEMBL6174032 | 0.82 | HDAC1 (0.47) | ALDH1A1POLBMEN1KMT2AGLA | |
| SCHEMBL399975 | 0.80 | FOLH1 (0.48) | FOLH1ALDH1A1POLBMAPTMEN1 | |
| SCHEMBL8194223 | 0.79 | ALDH1A1 (0.47) | ALDH1A1POLBMAPTMEN1KMT2A | |
| SCHEMBL29237350 | 0.77 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTMEN1KMT2A | |
| SCHEMBL29237625 | 0.77 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTMEN1KMT2A | |
| SCHEMBL30967903 | 0.77 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTMEN1KMT2A | |
| SCHEMBL18367812 | 0.77 | ALDH1A1 (0.49) | ALDH1A1POLBMAPTMEN1KMT2A | |
| SCHEMBL30967759 | 0.77 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTMEN1KMT2A |
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-8101665-B2 | Process for synthesis of tritiated and deuterated thiorphan and acetorphan | ROCHE PALO ALTO LLC (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110319656-A1 | PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN | ROCHE PALO ALTO LLC | 2011-12-29 | — | — | US | disclosed |
| WO-2009077386-A1 | PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |
| US-6136842-A | INHIBITION OF ENDOTHELIN-CONVERTING ENZYME | HOECHST MARION ROUSSEL (FR) | 2000-10-24 | — | — | 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-20110319656-A1 | PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN | NAT1, ZRANB2, TXN | FOLH1 3985/4885ALDH1A1 956/4885POLB 1676/4885 |
“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.