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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 SCHEMBL7773232 | 0.73 | PKM (0.47) | KDM4EALDH1A1 | |
| SCHEMBL7771836 | 0.73 | CA12 (0.32) | — | |
| SCHEMBL7771834 | 0.73 | AKR1B1 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL1782628 | 0.69 | LMNA (0.33) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8956567 | 0.69 | PKM (0.46) | KDM4EALDH1A1 | |
| SCHEMBL1779983 | 0.68 | CYP1A2 (0.43) | KDM4EALDH1A1TDP1 | |
| SCHEMBL25527501 | 0.64 | POLB (0.44) | KDM4EALDH1A1TDP1 | |
| SCHEMBL28960028 | 0.61 | STK17B (0.37) | KDM4EALDH1A1TDP1 | |
| SCHEMBL28960027 | 0.61 | STK17B (0.37) | KDM4EALDH1A1TDP1 | |
| SCHEMBL30026278 | 0.61 | STK17B (0.37) | KDM4EALDH1A1TDP1 |
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-0900264-B1 | SULFANIMINES AS BLEACH CATALYSTS | UNILEVER NV (NL) | 2001-07-04 | — | — | EP | disclosed |
| EP-0900264-A1 | SULFANIMINES AS BLEACH CATALYSTS | UNILEVER N.V. (NL) | 1999-03-10 | — | — | EP | disclosed |
| US-5693603-A | CONSISTS OF PEROXY COMPOUND, OXYGEN TRASFER AGENT AND SURFACTANT; USEFUL FOR BLEACHING A STAINED SUBSTRATE SELECTED FROM FABRIC, HOUSEHOLD FIXTURE, TABLEWARE AND DENTURE | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1997-12-02 | — | — | US | disclosed |
| WO-1997041199-A1 | SULFANIMINES AS BLEACH CATALYSTS | UNILEVER N.V. (NL) | 1997-11-06 | — | — | WO | disclosed |