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 | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | CA7 | P43166 | 4/20 | 0.51 |
| ▸ | CA9 | Q16790 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.48 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.48 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12057514 | 0.98 | KDR (0.62) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL14459549 | 0.89 | KDR (0.70) | KDRPDK1CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL5597854 | 0.87 | KDR (0.68) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL27685300 | 0.83 | KDR (0.66) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL29494962 | 0.82 | KDR (0.60) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL22092639 | 0.82 | KDR (0.60) | KDRPDK1CA1CA2CA7 | |
| Iodide SCHEMBL3531231 | 0.81 | KDR (0.64) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL17060481 | 0.80 | KDR (0.82) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL27685295 | 0.80 | KDR (0.66) | KDRPDK1CA1CA2CA7 | |
| SCHEMBL11811084 | 0.79 | KDR (0.57) | KDRPDK1CA1CA2CA7 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-8372971-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2013-02-12 | — | — | US | disclosed |
| EP-2532653-A1 | Benzo[1,2,4]triazines as protein kinase modulators | Targegen, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| US-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2012-08-30 | — | — | US | disclosed |
| US-8084618-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-7652051-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| EP-1799656-A4 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN INC (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1799656-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Targegen, Inc. (US) | 2007-06-27 | — | — | EP | disclosed |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2006-04-13 | — | — | US | disclosed |
| WO-2006024034-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2006-03-02 | — | — | 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 (4 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-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDR 4380/4885PDK1 1814/4885CA1 1002/4885 |
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDR 4380/4885PDK1 1814/4885CA1 1002/4885 |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | AADAC, NISCH, PAICS | KDR 4380/4885PDK1 1814/4885CA1 1002/4885 |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | KDR 4380/4885PDK1 1814/4885CA1 1002/4885 |
“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.