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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GLI1 | P08151 | 1/20 | 0.38 |
| ▸ | GLI2 | P10070 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27646239 | 0.70 | — | — | |
| SCHEMBL789243 | 0.70 | — | — | |
| SCHEMBL11507660 | 0.68 | — | — | |
| SCHEMBL879175 | 0.68 | — | — | |
| SCHEMBL2697434 | 0.68 | — | — | |
| SCHEMBL13862475 | 0.68 | — | — | |
| SCHEMBL18774077 | 0.68 | CYP3A4 (0.36) | CYP3A4GLI1GLI2NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL6901904 | 0.67 | CYP3A4 (0.42) | CYP3A4GLI1GLI2NOS3NOS2 | |
| SCHEMBL31281423 | 0.65 | CYP3A4 (0.37) | CYP3A4GLI1GLI2NOS3NOS2 | |
| SCHEMBL21505680 | 0.65 | CYP3A4 (0.37) | CYP3A4GLI1GLI2NOS3NOS2 |
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-0874859-B1 | OPEN-PENTADIENYL METALLOCENES, PRECURSORS THEREOF AND POLYMERIZATION CATALYSTS THEREFROM | BASELL POLYOLEFINE GMBH (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6403772-B1 | COMPLEXES AND DERIVED CATALYSTS FOR ADDITION POLYMERIZATION, WHERE CATALYST CAN BE USED TO PREPARE POLYMER PRODUCTS WITH DESIRED PROPERTIES SUCH AS MOLECULAR WEIGHT, MOLECULAR WEIGHT DISTRIBUTION, DENSITY, TACTICITY AND TERMINAL UNSATURATION | MONTELL TECHNOLOGY COMPANY, BV (NL) | 2002-06-11 | — | — | US | disclosed |
| EP-0874859-A1 | OPEN-PENTADIENYL METALLOCENES, PRECURSORS THEREOF AND POLYMERIZATION CATALYSTS THEREFROM | Montell Technology Company bv (NL) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997010248-A1 | OPEN-PENTADIENYL METALLOCENES, PRECURSORS THEREOF AND POLYMERIZATION CATALYSTS THEREFROM | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1997-03-20 | — | — | WO | disclosed |