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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.50 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29521789 | 0.98 | TDP1 (0.67) | TDP1TSHRLMNACHRM1CHRM3 | |
| SCHEMBL3961 | 0.98 | TDP1 (0.67) | TDP1TSHRLMNACHRM1CHRM3 | |
| SCHEMBL3469 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| Hydrogen Sulfide SCHEMBL9879814 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| SCHEMBL2870359 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| Hydrogen Sulfide SCHEMBL9879738 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| SCHEMBL9879423 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| Hydrogen Sulfide SCHEMBL9879813 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| SCHEMBL9879199 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 | |
| SCHEMBL9878602 | 0.97 | TDP1 (0.65) | TDP1TSHRLMNACHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4271310-A | Method of determining cholinesterase activity and choline derivatives for use in the method | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1981-06-02 | — | — | US | claimed |
| US-4271310-A | Method of determining cholinesterase activity and choline derivatives for use in the method | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1981-06-02 | — | — | US | disclosed |