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 | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 SCHEMBL6897745 | 0.86 | KDM4E (0.32) | KDM4EALDH1A1TP53MAPTHPGD | |
| Hydrochloric Acid SCHEMBL6902679 | 0.83 | MEN1 (0.36) | KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL6895631 | 0.81 | KDM4E (0.33) | KDM4E | |
| Hydrochloric Acid SCHEMBL6898034 | 0.78 | CYP1A1 (0.37) | CYP1A1CYP1B1NQO2CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL7731502 | 0.72 | ALDH1A1 (0.39) | KDM4EALDH1A1TP53MAPTHPGD | |
| Hydrochloric Acid SCHEMBL7793942 | 0.71 | ALDH1A1 (0.38) | CYP1B1CYP1A2KDM4EALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6900436 | 0.70 | KDM4E (0.32) | KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL6902770 | 0.70 | CA12 (0.36) | CYP1A1CYP1B1NQO2HSD17B1HSD17B2 | |
| Hydrochloric Acid SCHEMBL6898959 | 0.68 | CCR1 (0.36) | EGFRERBB2KDM4ECYP3A4 | |
| SCHEMBL28351952 | 0.68 | ALDH1A1 (0.35) | CYP1A1CYP1B1CYP1A2EGFRERBB2 |
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 |