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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
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 SCHEMBL6895316 | 0.83 | KDM4E (0.39) | CCR1CCR5CCR8CYP3A4KDM4E | |
| SCHEMBL6904348 | 0.81 | CCR1 (0.37) | CCR1CCR5CCR8HDAC6CYP2A6 | |
| Hydrochloric Acid SCHEMBL6897745 | 0.75 | KDM4E (0.32) | CYP2A6KDM4E | |
| Hydrochloric Acid SCHEMBL7793942 | 0.74 | ALDH1A1 (0.38) | CYP2A6CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL6904707 | 0.73 | CYP3A4 (0.33) | CCR1CCR5CCR8HDAC6CYP2A6 | |
| Hydrochloric Acid SCHEMBL6900436 | 0.72 | KDM4E (0.32) | CYP2A6KDM4E | |
| Hydrochloric Acid SCHEMBL6905141 | 0.72 | CYP11B1 (0.36) | CCR1CCR5CCR8HDAC6CYP2A6 | |
| SCHEMBL6899180 | 0.71 | KDM4E (0.35) | CCR1CCR5CCR8HDAC6LTC4S | |
| Hydrochloric Acid SCHEMBL7731502 | 0.69 | ALDH1A1 (0.39) | KDM4E | |
| Hydrochloric Acid SCHEMBL7933313 | 0.69 | KDM4E (0.33) | CYP2A6CYP3A4KDM4E |
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-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 |
| 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 | disclosed |
| 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 |
| EP-1033371-A1 | Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins | TARGOR GmbH (DE) | 2000-09-06 | — | — | EP | disclosed |