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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 12/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9593244 | 0.98 | CHKA (0.38) | CHKABCHEACHEALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9602803 | 0.74 | CHKA (0.39) | CHKABCHEACHEALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10549556 | 0.69 | CHKA (0.33) | CHKA | |
| Hydrochloric Acid SCHEMBL9594289 | 0.69 | ALDH1A1 (0.32) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9593719 | 0.68 | CHKA (0.36) | CHKAALDH1A1SMN1; SMN2LMNAHTT | |
| Bromide SCHEMBL10744683 | 0.67 | CHAT (0.34) | CHKABCHEACHEKDM4E | |
| Hydrochloric Acid SCHEMBL10550848 | 0.67 | HTT (0.33) | ALDH1A1RAB9ASMN1; SMN2LMNAHTT | |
| Hydrochloric Acid SCHEMBL10549136 | 0.66 | MEN1 (0.32) | MEN1KMT2A | |
| SCHEMBL1434203 | 0.63 | — | — | |
| SCHEMBL885161 | 0.62 | TP53 (0.42) | ALDH1A1SMN1; SMN2LMNA |
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-0164944-B1 | CEPHALOSPORIN DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-07-11 | — | — | EP | disclosed |
| EP-0164944-A1 | Cephalosporin derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-18 | — | — | EP | disclosed |