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 | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2675945 | 0.98 | PDPK1 (0.43) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL29478852 | 0.98 | PDPK1 (0.43) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL21662935 | 0.78 | PDPK1 (0.46) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL23858513 | 0.74 | CCNT1 (0.42) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL13705860 | 0.74 | XDH (0.52) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL24802934 | 0.74 | CCNT1 (0.42) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL31128144 | 0.74 | PDPK1 (0.43) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL25795310 | 0.74 | PDPK1 (0.43) | PDPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL22328055 | 0.72 | TLR8 (0.43) | PDPK1XDHRETPI4KALRRK2 | |
| SCHEMBL22328051 | 0.72 | PDPK1 (0.41) | PDPK1CCNT1CCNA2CDK2CDK9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367697-B2 | Kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-05 | — | — | US | disclosed |
| EP-2215089-B1 | [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA | VERTEX PHARMA (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20120149680-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | US | disclosed |
| US-8173635-B2 | Kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-08 | — | — | US | disclosed |
| EP-2215089-A1 | [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA | Vertex Pharmaceuticals Incorporated (US) | 2010-08-11 | — | — | EP | disclosed |
| US-20090291937-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-26 | — | — | US | disclosed |
| WO-2009073300-A1 | [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-11 | — | — | 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 (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-20090291937-A1 | KINASE INHIBITORS | MAP3K20, MAP3K1, MAP3K6 | PDPK1 88/4885CCNT1 774/4885CCNA2 797/4885 |
| US-20120149680-A1 | KINASE INHIBITORS | MAP3K20, MAP3K1, MAP3K6 | PDPK1 88/4885CCNT1 774/4885CCNA2 797/4885 |
“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.