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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL9728 | 0.58 | MAPT (1.00) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| SCHEMBL135626 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| SCHEMBL10000032 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL8372850 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL3930145 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| SCHEMBL9120813 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| Hydrogen Sulfide SCHEMBL3929756 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| Water SCHEMBL1648462 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL5548691 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 | |
| Water SCHEMBL11112402 | 0.56 | MAPT (0.92) | MAPTLMNAKIF11KDM4ECYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743317-B1 | Metallocenes comprising a heterocycle and catalysts containing them | BASELL POLYOLEFINE GMBH (DE) | 2002-08-28 | — | — | EP | disclosed |
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0743317-A2 | Metallocenes comprising a heterocycle and catalysts containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-20 | — | — | EP | disclosed |