Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.65 |
| ▸ | CCR2 | P41597 | 3/20 | 0.54 |
| ▸ | CCR7 | P32248 | 2/20 | 0.54 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5206031 | 0.88 | CCR5 (0.72) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5209618 | 0.85 | CCR5 (0.71) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5209806 | 0.84 | CCR5 (0.64) | CCR5CCR2CCR7CXCR3 | |
| Iodide SCHEMBL5211208 | 0.82 | CCR5 (0.64) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5210033 | 0.82 | CCR5 (0.64) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5209313 | 0.82 | CCR5 (0.74) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5210044 | 0.81 | CCR5 (0.61) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5209707 | 0.81 | CCR5 (0.61) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL7682099 | 0.80 | CCR5 (0.64) | CCR5CCR2CCR7CXCR3 | |
| SCHEMBL5209488 | 0.80 | CCR5 (0.69) | CCR5CCR2CCR7CXCR3 |
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 4 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-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 |