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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.73 |
| ▸ | CCR2 | P41597 | 3/20 | 0.66 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.66 |
| ▸ | CCR7 | P32248 | 2/20 | 0.66 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.57 |
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 SCHEMBL5209393 | 0.85 | CCR5 (1.00) | CCR5 | |
| SCHEMBL5209313 | 0.84 | CCR5 (0.74) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL7620145 | 0.84 | CCR5 (0.73) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL5211208 | 0.84 | CCR5 (0.64) | CCR5CCR2CXCR3CCR7 | |
| SCHEMBL5204899 | 0.82 | CCR2 (0.68) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL15095777 | 0.82 | CCR5 (0.74) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL12926185 | 0.82 | CCR5 (0.86) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL5210198 | 0.81 | CCR5 (0.73) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL3031616 | 0.81 | CCR5 (1.00) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL13218319 | 0.80 | CCR5 (0.64) | CCR5CCR2CXCR3CCR7CXCR5 |
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 9 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-6376536-B1 | VIRICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-04-23 | — | — | 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 |
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| US-6096780-A | ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |