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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | METAP1 | P53582 | 4/20 | 0.42 |
| ▸ | CCR1 | P32246 | 3/20 | 0.42 |
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | CCR8 | P51685 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6897793 | 0.79 | KDM4E (0.45) | KDM4ELMNAMETAP1CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL6903767 | 0.78 | KDM4E (0.43) | KDM4ELMNAMETAP1CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL7063758 | 0.77 | KDM4E (0.42) | KDM4ELMNAMETAP1CCR1CCR5 | |
| SCHEMBL6902452 | 0.77 | KDM4E (0.42) | KDM4ELMNAMETAP1CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL394239 | 0.75 | CYP11B1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7064943 | 0.75 | RAB9A (0.41) | KDM4ELMNACYP1A2BLMHIF1A | |
| SCHEMBL7063759 | 0.74 | KDM4E (0.39) | KDM4ELMNAMETAP1CCR1CCR5 | |
| SCHEMBL7061668 | 0.74 | KDM4E (0.39) | KDM4ELMNAMETAP1CCR1CCR5 | |
| SCHEMBL7064228 | 0.74 | KDM4E (0.39) | KDM4ELMNAMETAP1CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL394872 | 0.71 | CYP19A1 (0.31) | KDM4EPOLBNPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6635733-B2 | Coordination catalyst; radiation transparent, elasticity | CHISSO CORPORATION (JP) | 2003-10-21 | — | — | US | disclosed |
| US-6479646-B1 | Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same | CHISSO CORPORATION (JP) | 2002-11-12 | — | — | US | disclosed |
| US-20020002261-A1 | Elastomeric polypropylene | JNC PETROCHEMICAL CORPORATION (JP) | 2002-01-03 | — | — | US | disclosed |
| US-20010031834-A1 | Using coordination catalyst; flexibility, elasticity; molding materials | CHISSO CORPORATION | 2001-10-18 | — | — | US | disclosed |