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 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8095563 | 0.96 | ALDH1A1 (0.45) | ALDH1A1KDM4EHIF1ACYP3A4CA2 | |
| SCHEMBL10883273 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4EHIF1ACYP3A4CA2 | |
| Butyltriphenylphosphonium SCHEMBL159490 | 0.81 | HIF1A (0.61) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Butyltriphenylphosphonium SCHEMBL28007945 | 0.79 | HIF1A (0.58) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Butyltriphenylphosphonium SCHEMBL30358591 | 0.78 | HIF1A (0.64) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL716757 | 0.77 | HIF1A (0.56) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL5088181 | 0.77 | HIF1A (0.56) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Decyltriphenylphosphonium SCHEMBL5087261 | 0.77 | HIF1A (0.56) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL5084888 | 0.77 | HIF1A (0.56) | ALDH1A1HIF1ATSHRMAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL5085298 | 0.77 | HIF1A (0.56) | ALDH1A1HIF1ATSHRMAPK1MEN1 |
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-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |