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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.34 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 SCHEMBL161462 | 0.95 | HIF1A (0.52) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| Iodide SCHEMBL5029340 | 0.95 | HIF1A (0.52) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| Phosphine SCHEMBL28055000 | 0.93 | HIF1A (0.50) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL8374701 | 0.89 | HIF1A (0.46) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL8376846 | 0.89 | HIF1A (0.46) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL8378542 | 0.89 | HIF1A (0.46) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL8606124 | 0.89 | HIF1A (0.46) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL30834245 | 0.81 | HIF1A (0.48) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL165408 | 0.79 | HIF1A (0.57) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11783565 | 0.78 | HIF1A (0.63) | HIF1AALDH1A1TSHRCYP1A2CYP2D6 |
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 |