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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10256558 | 0.98 | CA1 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL20160698 | 0.82 | CA1 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.81 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4873097 | 0.81 | CA12 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL18312424 | 0.81 | ALDH1A1 (0.59) | CA1CA2CA12CA7CA9 | |
| Iodide SCHEMBL6761228 | 0.80 | ALDH1A1 (0.63) | ESR1LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL10169860 | 0.79 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7746905 | 0.79 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21440358 | 0.79 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29504635 | 0.79 | CA1 (0.79) | CA1CA2CA12CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7678796-B2 | MGluR5 modulators I | ASTRAZENECA AB (SE) | 2010-03-16 | — | — | US | disclosed |
| US-20070259862-A1 | MGluR5 modulators I | ASTRAZENECA AB (SE) | 2007-11-08 | — | — | US | disclosed |
| US-4731449-A | TETRACYANO-P-QUINODIMETHAN | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-15 | — | — | 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-20070259862-A1 | MGluR5 modulators I | GRM5, GRM1, GRIK5 | CA1 2882/4885CA2 1360/4885CA12 4619/4885 |
“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.