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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.56 |
| ▸ | CA9 | Q16790 | 6/20 | 0.56 |
| ▸ | CA1 | P00915 | 6/20 | 0.56 |
| ▸ | CA5A | P35218 | 6/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.56 |
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CA3 | P07451 | 3/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.56 |
| ▸ | CA6 | P23280 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP10 | P09238 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL3734831 | 1.00 | CA2 (0.56) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL13012707 | 0.99 | CA2 (0.57) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL13062324 | 0.88 | CA12 (0.43) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3736021 | 0.85 | CA2 (0.58) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3736023 | 0.85 | CA2 (0.58) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3732390 | 0.80 | CA2 (0.65) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3732387 | 0.80 | CA2 (0.65) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3735515 | 0.79 | CA2 (0.64) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3735518 | 0.79 | CA2 (0.64) | CA2CA9CA1CA5ACA5B | |
| SCHEMBL3730647 | 0.78 | CA2 (0.65) | CA2CA9CA1CA5ACA5B |
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-8354092-B2 | Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2013-01-15 | — | — | US | disclosed |
| EP-2468734-A1 | Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry | Siemens Medical Solutions USA, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20100317842-A1 | Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2010-12-16 | — | — | US | disclosed |
| US-7829063-B2 | Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-20090123372-A1 | DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY | SIEMENS MEDICAL SOLUTIONS USA, INC. | 2009-05-14 | — | — | 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 (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-20100317842-A1 | Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry | CA9, CA4, CA13 | CA2 9/4885CA9 1/4885CA1 5/4885 |
| US-20090123372-A1 | DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY | CA9, CA4, CA13 | CA2 9/4885CA9 1/4885CA1 5/4885 |
“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.