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 | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CDC42 | P60953 | 1/20 | 0.32 |
| ▸ | RAC1 | P63000 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL29565955 | 0.97 | NQO2 (0.37) | NQO2CYP19A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL698217 | 0.97 | NQO2 (0.37) | NQO2CYP19A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL29362227 | 0.97 | NQO2 (0.37) | NQO2CYP19A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL697978 | 0.84 | HSP90AA1 (0.39) | NQO2CYP19A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL6213387 | 0.84 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL14356056 | 0.84 | HSP90AA1 (0.37) | NQO2CYP19A1HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL18934246 | 0.83 | — | — | |
| SCHEMBL1144361 | 0.83 | NQO2 (0.33) | NQO2CYP19A1 | |
| SCHEMBL21500141 | 0.82 | — | — | |
| P-Cymene SCHEMBL30477519 | 0.81 | ALDH1A1 (0.34) | HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1KDM4E |
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-2264000-B1 | METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND USING RUTHENIUM COMPOUND | NIPPON SODA CO (JP) | 2016-05-11 | — | — | EP | disclosed |
| US-8207379-B2 | Ruthenium compound and method for producing optically active aminoalcohol compound | NIPPON SODA CO., LTD. (JP) | 2012-06-26 | — | — | US | disclosed |
| EP-2264000-A1 | RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND | Nippon Soda Co., Ltd. (JP) | 2010-12-22 | — | — | EP | disclosed |