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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.80 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5206174 | 0.90 | CCR5 (0.98) | CCR5 | |
| SCHEMBL5243382 | 0.89 | CCR5 (1.00) | CCR5 | |
| Iodide SCHEMBL3040187 | 0.88 | CCR5 (1.00) | CCR5 | |
| Hydrochloric Acid SCHEMBL5204431 | 0.86 | CCR5 (0.79) | CCR5 | |
| Hydrochloric Acid SCHEMBL5209655 | 0.86 | CCR5 (0.79) | CCR5 | |
| Hydrochloric Acid SCHEMBL5209199 | 0.86 | CCR5 (0.79) | CCR5 | |
| Hydrochloric Acid SCHEMBL7935936 | 0.85 | CCR5 (0.70) | CCR5 | |
| Hydrochloric Acid SCHEMBL7682291 | 0.84 | CCR5 (0.79) | CCR5 | |
| Hydrochloric Acid SCHEMBL7685301 | 0.84 | CCR5 (0.79) | CCR5 | |
| SCHEMBL5209427 | 0.83 | CCR5 (0.74) | 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 4 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-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 |