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 2)
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 SCHEMBL2820521 | 1.00 | TDP1 (0.33) | TDP1HIF1A | |
| Iodide SCHEMBL2820519 | 1.00 | TDP1 (0.33) | TDP1HIF1A | |
| Iodide SCHEMBL2820514 | 1.00 | TDP1 (0.33) | TDP1HIF1A | |
| SCHEMBL4201738 | 0.87 | TDP1 (0.36) | TDP1 | |
| SCHEMBL4201743 | 0.87 | TDP1 (0.36) | TDP1 | |
| Iodide SCHEMBL4189822 | 0.84 | CYP19A1 (0.32) | HIF1A | |
| Iodide SCHEMBL4189831 | 0.84 | CYP19A1 (0.32) | HIF1A | |
| Iodide SCHEMBL4189826 | 0.84 | CYP19A1 (0.32) | HIF1A | |
| Iodide SCHEMBL4189835 | 0.84 | CYP19A1 (0.32) | HIF1A | |
| SCHEMBL4197097 | 0.82 | TDP1 (0.33) | TDP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100168179-A1 | 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS | KLAR ULRICH | 2010-07-01 | — | — | US | disclosed |
| US-7700621-B2 | E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-20 | — | — | US | disclosed |
| US-7645891-B2 | E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-01-12 | — | — | US | disclosed |
| EP-1173441-B1 | 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS | BAYER SCHERING PHARMA AG (DE) | 2009-08-26 | — | — | EP | disclosed |
| US-20090018342-A1 | NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE | KLAR ULRICH | 2009-01-15 | — | — | US | disclosed |
| US-7407975-B2 | Epothilone derivatives, method for producing same and their pharmaceutical use | BAYER SCHERING PHARMA AG (DE) | 2008-08-05 | — | — | US | disclosed |
| EP-1847540-A1 | Nouveaux dérivés d'épothilone, leur procédé de production et leur utilisation pharmaceutique | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-10-24 | — | — | EP | disclosed |
| EP-1005465-B1 | NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | BAYER SCHERING PHARMA AG (DE) | 2007-07-25 | — | — | EP | disclosed |
| US-20060046997-A1 | 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2006-03-02 | — | — | US | disclosed |
| US-20030144523-A1 | EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-07-31 | — | — | 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 (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-20060046997-A1 | 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations | TUBB6, CCNB1, TUBB | TDP1 3269/4885HIF1A 1086/4885 |
| US-20100168179-A1 | 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS | TUBB6, CCNB1, TUBB | TDP1 3269/4885HIF1A 1086/4885 |
| US-20030144523-A1 | EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | TUBB1, TUBA1C, TUBB4A | TDP1 3303/4885HIF1A 619/4885 |
| US-20090018342-A1 | NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE | TUBB4A, TUBA1B, TUBB | TDP1 3281/4885HIF1A 724/4885 |
“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.