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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 3/20 | 0.88 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.88 |
| ▸ | CCR5 | P51681 | 14/20 | 0.85 |
| ▸ | CCR2 | P41597 | 7/20 | 0.85 |
| ▸ | CCR7 | P32248 | 2/20 | 0.85 |
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 SCHEMBL29381708 | 0.92 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| Hydrochloric Acid SCHEMBL48548 | 0.92 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| SCHEMBL1161322 | 0.91 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| SCHEMBL30241629 | 0.91 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| Iodide SCHEMBL3031616 | 0.90 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| Iodide SCHEMBL5204391 | 0.88 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| Iodide SCHEMBL7681118 | 0.87 | CCR5 (1.00) | CXCR3CXCR5CCR5CCR2CCR7 | |
| Hydrochloric Acid SCHEMBL2900185 | 0.86 | CCR5 (0.78) | CXCR3CXCR5CCR5CCR2CCR7 | |
| SCHEMBL2696178 | 0.85 | CCR5 (0.77) | CXCR3CXCR5CCR5CCR2CCR7 | |
| Iodide SCHEMBL17555091 | 0.84 | CCR5 (0.78) | CXCR3CXCR5CCR5CCR2CCR7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376536-B1 | VIRICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-04-23 | — | — | US | disclosed |
| US-6096780-A | ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-01 | — | — | US | disclosed |