Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | 20/20 | 0.98 |
| ▸ | CCR7 | P32248 | 2/20 | 0.66 |
| ▸ | CCR2 | P41597 | 2/20 | 0.66 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.66 |
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 SCHEMBL5208427 | 0.98 | CCR5 (1.00) | CCR5CCR7CCR2CXCR3 | |
| Hydrochloric Acid SCHEMBL27521085 | 0.93 | CCR5 (0.85) | CCR5CCR7CCR2CXCR3 | |
| Hydrochloric Acid SCHEMBL5208149 | 0.93 | CCR5 (0.98) | CCR5CCR7CCR2CXCR3 | |
| Iodide SCHEMBL27547799 | 0.91 | CCR5 (0.87) | CCR5CCR7CCR2CXCR3 | |
| Iodide SCHEMBL5212153 | 0.91 | CCR5 (1.00) | CCR5CCR7CCR2CXCR3 | |
| Iodide SCHEMBL7678829 | 0.90 | CCR5 (1.00) | CCR5CCR7CCR2CXCR3 | |
| SCHEMBL5238081 | 0.83 | CCR5 (0.72) | CCR5CCR2 | |
| Hydrochloric Acid SCHEMBL3040819 | 0.83 | CCR5 (0.98) | CCR5CCR7CCR2CXCR3 | |
| Iodide SCHEMBL7623615 | 0.82 | CCR5 (0.84) | CCR5CCR7CCR2CXCR3 | |
| SCHEMBL8122857 | 0.82 | CCR5 (1.00) | CCR5CCR7CCR2CXCR3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6172061-B1 | AIDS THERAPY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | claimed |
| 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 |