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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1991621 | 0.75 | TSHR (0.31) | TSHR | |
| SCHEMBL4251418 | 0.75 | — | — | |
| SCHEMBL4251011 | 0.75 | — | — | |
| SCHEMBL1994789 | 0.67 | TSHR (0.38) | TSHRLMNATDP1ADRA1A | |
| SCHEMBL178293 | 0.62 | — | — | |
| SCHEMBL10669 | 0.62 | — | — | |
| SCHEMBL901267 | 0.62 | TSHR (0.56) | TSHRLMNATDP1CNR1ADRA1A | |
| SCHEMBL6635739 | 0.62 | — | — | |
| SCHEMBL23480 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL5461997 | 0.62 | — | — |
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-5296636-A | Preparation of 2,4,6-trimethylbenzoic acid | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-22 | — | — | US | disclosed |
| EP-0554679-A1 | Process for the preparation of alpha-Chloro 2,4,6-trimethylacetophenone | BASF Aktiengesellschaft (DE) | 1993-08-11 | — | — | EP | disclosed |
| US-4661610-A | Preparation of veratryl cyanide | BASF AKTIENGESELLSCHAFT (DE) | 1987-04-28 | — | — | US | disclosed |
| EP-0211271-A1 | Process for the preparation of veratryl cyanide | BASF Aktiengesellschaft (DE) | 1987-02-25 | — | — | EP | disclosed |