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 | 2/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721548 | 0.88 | L3MBTL1 (0.56) | L3MBTL1TSHRALDH1A1LMNAKMT2A | |
| SCHEMBL8722482 | 0.88 | L3MBTL1 (0.56) | L3MBTL1TSHRALDH1A1LMNAKMT2A | |
| SCHEMBL8725782 | 0.88 | L3MBTL1 (0.56) | L3MBTL1TSHRALDH1A1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL8723502 | 0.82 | L3MBTL1 (0.48) | L3MBTL1ALDH1A1LMNAKMT2AKCNH2 | |
| SCHEMBL29000969 | 0.76 | ALDH1A1 (0.70) | L3MBTL1TSHRALDH1A1LMNACYP3A4 | |
| SCHEMBL9453026 | 0.76 | ALDH1A1 (0.70) | L3MBTL1TSHRALDH1A1LMNACYP3A4 | |
| SCHEMBL8724941 | 0.75 | NPC1 (0.64) | L3MBTL1ALDH1A1LMNAMAPK1KMT2A | |
| SCHEMBL18012379 | 0.75 | NPC1 (0.72) | L3MBTL1ALDH1A1LMNACYP3A4MAPK1 | |
| SCHEMBL2304857 | 0.75 | NPC1 (0.72) | L3MBTL1ALDH1A1LMNACYP3A4MAPK1 | |
| SCHEMBL1123538 | 0.75 | NPC1 (0.72) | L3MBTL1ALDH1A1LMNACYP3A4MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5800624-A | LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER | UNIVERSITY OF NOTRE DAME (US) | 1998-09-01 | — | — | US | disclosed |