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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9549354 | 1.00 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9549161 | 1.00 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9549262 | 1.00 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9549246 | 1.00 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9549311 | 1.00 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9549149 | 1.00 | CHRM2 (0.41) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10526297 | 0.98 | CHRM2 (0.40) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| SCHEMBL10523566 | 0.98 | CHRM2 (0.42) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| SCHEMBL9549498 | 0.98 | CHRM2 (0.42) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 | |
| SCHEMBL9549043 | 0.98 | CHRM2 (0.42) | CHRM2CHRM5CHRM1CHRM3ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0288515-B1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | ISP INVESTMENTS INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| EP-0288515-A4 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | — | 1990-09-26 | — | — | EP | disclosed |
| EP-0288515-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS. | GAF CORP (US) | 1988-11-02 | — | — | EP | disclosed |
| WO-1988002985-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | GAF CORPORATION (US) | 1988-05-05 | — | — | WO | disclosed |
| US-4732990-A | BACTERICIDES, HAIR CONDITIONERS | GAF CORPORATION (US) | 1988-03-22 | — | — | US | disclosed |