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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL21312 | 0.89 | — | — | |
| SCHEMBL14889442 | 0.84 | ALDH1A1 (0.46) | — | |
| SCHEMBL6131144 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL7565912 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL7675748 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL11577672 | 0.80 | ALDH1A1 (0.43) | — | |
| Ethylenediamine SCHEMBL2112258 | 0.80 | — | — | |
| Phosphoric Acid SCHEMBL9014222 | 0.76 | ANPEP (0.58) | — | |
| SCHEMBL6432174 | 0.70 | ALDH1A1 (0.35) | — | |
| Oxirane SCHEMBL10962688 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020193434-A1 | Anti-tumor composition | AJINOMOTO CO. INC (JP) | 2002-12-19 | — | — | US | claimed |
| US-20100069486-A1 | ANTI-TUMOR COMPOSITION | AJINOMOTO CO., INC. (JP) | 2010-03-18 | — | — | US | disclosed |
| US-7655696-B2 | Highly efficacious and highly safe composition of a Stilbene derivative and a platinum coordination compound cis-diaminedichloroplatinum (II) | AJINOMOTO CO., INC. (JP) | 2010-02-02 | — | — | US | disclosed |
| US-20090093540-A1 | ANTI-TUMOR COMPOSITION | AJINOMOTO CO., INC. (JP) | 2009-04-09 | — | — | US | disclosed |
| US-20050281892-A1 | Highly efficacious and highly safe composition of a Stilbene derivative and a platinum coordination compound cis-diaminedichloroplatinum (II) | AJINOMOTO CO., INC. (JP) | 2005-12-22 | — | — | US | disclosed |
| US-20020193434-A1 | Anti-tumor composition | AJINOMOTO CO. INC (JP) | 2002-12-19 | — | — | US | disclosed |