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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.76 |
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 SCHEMBL3028733 | 0.86 | CCR5 (1.00) | CCR5 | |
| Iodide SCHEMBL3037246 | 0.86 | CCR5 (1.00) | CCR5 | |
| SCHEMBL5210707 | 0.85 | CCR5 (1.00) | CCR5 | |
| SCHEMBL5210008 | 0.85 | CCR5 (1.00) | CCR5 | |
| SCHEMBL7684813 | 0.84 | CCR5 (0.53) | CCR5 | |
| Iodide SCHEMBL7683572 | 0.84 | CCR5 (0.84) | CCR5 | |
| Iodide SCHEMBL3040187 | 0.83 | CCR5 (1.00) | CCR5 | |
| SCHEMBL5243382 | 0.82 | CCR5 (1.00) | CCR5 | |
| SCHEMBL7678586 | 0.82 | CCR5 (0.52) | CCR5 | |
| Hydrochloric Acid SCHEMBL5206174 | 0.82 | CCR5 (0.98) | CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1040103-B1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2007-03-14 | — | — | EP | disclosed |
| US-6413947-B1 | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |
| US-6268354-B1 | Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-07-31 | — | — | US | disclosed |
| US-6172061-B1 | AIDS THERAPY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |
| US-6166006-A | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |