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 | 0.63 |
| ▸ | CCR2 | P41597 | 3/20 | 0.49 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.49 |
| ▸ | CCR7 | P32248 | 2/20 | 0.49 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.49 |
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 SCHEMBL7619257 | 0.99 | CCR5 (0.62) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL7925879 | 0.89 | CCR5 (0.51) | CCR5 | |
| Iodide SCHEMBL5247643 | 0.79 | CCR5 (0.53) | CCR5 | |
| SCHEMBL5208811 | 0.77 | CCR2 (0.81) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL7681118 | 0.77 | CCR5 (1.00) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL7624169 | 0.76 | CCR5 (0.60) | CCR5 | |
| SCHEMBL5240554 | 0.76 | CCR2 (0.82) | CCR5CCR2CXCR3CCR7CXCR5 | |
| Iodide SCHEMBL7628545 | 0.76 | CCR5 (0.61) | CCR5 | |
| Iodide SCHEMBL5204391 | 0.76 | CCR5 (1.00) | CCR5CCR2CXCR3CCR7CXCR5 | |
| SCHEMBL5208454 | 0.71 | CCR5 (0.70) | CCR5CCR2CXCR3CCR7 |
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-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-6166006-A | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-1040103-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |