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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | STAT1 | P42224 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 SCHEMBL6904017 | 0.80 | CYP3A4 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6903767 | 0.80 | KDM4E (0.43) | CCR1CCR5CCR8CYP2A6METAP2 | |
| SCHEMBL6900082 | 0.79 | CCR1 (0.43) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6904132 | 0.79 | CYP3A4 (0.39) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6287243 | 0.78 | CYP11B1 (0.32) | NPC1RAB9ASMN1; SMN2MAPTCYP19A1 | |
| Hydrochloric Acid SCHEMBL6904962 | 0.78 | CYP3A4 (0.37) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6905112 | 0.78 | CCR1 (0.36) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6902216 | 0.78 | CCR1 (0.36) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6905141 | 0.77 | CYP11B1 (0.36) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Hydrochloric Acid SCHEMBL6895496 | 0.74 | DHFR (0.35) | CCR1CCR5CCR8HDAC6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1033371-B1 | Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2004-01-28 | — | — | EP | claimed |
| US-6458982-B1 | CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. | TARGOR GMBH (DE) | 2002-10-01 | — | — | US | disclosed |