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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 19/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 14/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13624050 | 0.99 | KIF11 (0.55) | KIF11KCNH2CASP3 | |
| Iodide SCHEMBL5182650 | 0.83 | KIF11 (0.65) | KIF11KCNH2 | |
| SCHEMBL6532616 | 0.82 | KIF11 (0.66) | KIF11KCNH2 | |
| SCHEMBL4038431 | 0.82 | KIF11 (0.66) | KIF11KCNH2 | |
| SCHEMBL4374480 | 0.81 | KIF11 (0.66) | KIF11KCNH2CASP3 | |
| SCHEMBL13634117 | 0.76 | KIF11 (0.82) | KIF11KCNH2 | |
| SCHEMBL13624046 | 0.76 | KIF11 (0.82) | KIF11KCNH2 | |
| SCHEMBL4374455 | 0.72 | KIF11 (0.79) | KIF11KCNH2 | |
| SCHEMBL4059852 | 0.72 | KIF11 (0.69) | KIF11KCNH2 | |
| SCHEMBL14262984 | 0.71 | KIF11 (0.68) | KIF11KCNH2 |
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-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |
| EP-1578724-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-11-29 | — | — | EP | disclosed |
| US-20060052611-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-03-09 | — | — | US | disclosed |
| EP-1578724-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004058700-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2004-07-15 | — | — | 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 (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-20060052611-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIFC1 | KIF11 10/4885KCNH2 1400/4885CASP3 3303/4885 |
“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.