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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 known ✓ | P30411 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL7872902 | 0.94 | DNM1 (0.41) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Water SCHEMBL4821456 | 0.94 | DNM1 (0.41) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| SCHEMBL7865515 | 0.94 | DNM1 (0.41) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| SCHEMBL3327923 | 0.86 | DNM1 (0.36) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Acetic Acid SCHEMBL7872844 | 0.80 | CA1 (0.48) | TSHRCYP3A4CA2MAPK1 | |
| Propionic Acid SCHEMBL7872948 | 0.78 | CA2 (0.47) | TSHRCYP3A4CA2MAPK1 | |
| Hydrochloric Acid SCHEMBL17317377 | 0.77 | DNM1 (0.38) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Hydrochloric Acid SCHEMBL667720 | 0.77 | SPHK1 (0.39) | DNM1ALDH1A1OPRM1BDKRB2FDPS | |
| Hydrochloric Acid SCHEMBL5091754 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5087046 | 0.73 | DNM1 (0.53) | DNM1TSHRALDH1A1CYP3A4OPRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |