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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3147260 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL18593377 | 0.68 | ALDH1A1 (0.45) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL18593375 | 0.67 | ALDH1A1 (0.47) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL10491834 | 0.65 | HSP90AA1 (0.43) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL18593376 | 0.65 | MEN1 (0.44) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL35141 | 0.64 | CA2 (0.67) | ALDH1A1GAAMAPK1HTTNPSR1 | |
| SCHEMBL18593380 | 0.64 | CYP1A2 (0.42) | ALDH1A1GAAXBP1MAPK1HTT | |
| Hydrochloric Acid SCHEMBL20496658 | 0.63 | GABRA1 (0.31) | — | |
| SCHEMBL29836296 | 0.63 | CYP2C9 (0.68) | ALDH1A1HTTCA2POLBTYR | |
| SCHEMBL92890 | 0.63 | CYP2C9 (0.68) | ALDH1A1HTTCA2POLBTYR |
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 |
|---|---|---|---|---|---|---|---|
| US-20130281653-A1 | N-Heterocyclic Carbene Based Zirconium Complexes For Use In Lactones Ring Opening Polymerization | CLARIANT FINANCE (BVI) LIMITED (VG) | 2013-10-24 | — | — | US | disclosed |
| EP-2649083-A1 | N-HETEROCYCLIC CARBENE BASED ZIRCONIUM COMPLEXES FOR USE IN LACTONES RING OPENING POLYMERIZATION | Clariant Finance (BVI) Limited (VG) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076140-A1 | N-HETEROCYCLIC CARBENE BASED ZIRCONIUM COMPLEXES FOR USE IN LACTONES RING OPENING POLYMERIZATION | CLARIANT INTERNATIONAL LTD (CH) | 2012-06-14 | — | — | WO | disclosed |