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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL821639 | 0.73 | ACHE (0.33) | ACHEBCHECCNB2CDK1CCNB1 | |
| Hydrochloric Acid SCHEMBL7119325 | 0.72 | NTRK1 (0.36) | GPR3NTRK1ALDH1A1LMNACYP11B2 | |
| Hydrochloric Acid SCHEMBL7119092 | 0.68 | NTRK1 (0.40) | GPR3NTRK1MAPTALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7126874 | 0.68 | NTRK1 (0.40) | GPR3NTRK1MAPTALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7118358 | 0.68 | NTRK1 (0.40) | GPR3NTRK1MAPTKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7762692 | 0.67 | S100A4 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7118953 | 0.66 | GPR3 (0.41) | GPR3NTRK1MAPTHTTRAB9A | |
| SCHEMBL7122455 | 0.66 | GPR3 (0.41) | GPR3NTRK1MAPTHTTRAB9A | |
| SCHEMBL7127988 | 0.65 | NTRK1 (0.40) | GPR3NTRK1MAPTMEN1KMT2A | |
| SCHEMBL7118279 | 0.65 | NTRK1 (0.40) | GPR3NTRK1MAPTALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960442-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007070046-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |