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 |
| ▸ | NNMT | P40261 | 3/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4384975 | 0.98 | NNMT (0.50) | NNMTACHEPARP10CA2PARP4 | |
| Iodide SCHEMBL11257085 | 0.96 | NNMT (0.48) | NNMTACHEPARP10CA2PARP4 | |
| Water SCHEMBL11262505 | 0.96 | NNMT (0.48) | NNMTACHEPARP10CA2PARP4 | |
| SCHEMBL12849581 | 0.82 | TSHR (0.44) | CA2CA1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL4381131 | 0.78 | NNMT (0.50) | NNMTACHEPARP10CA2PARP4 | |
| SCHEMBL4387671 | 0.76 | NNMT (0.48) | NNMTACHEPARP10CA2PARP4 | |
| SCHEMBL11545665 | 0.73 | CA2 (0.45) | NNMTACHEPARP10CA2PARP4 | |
| Terephthalamide SCHEMBL221067 | 0.69 | CYP3A4 (0.67) | NNMTPARP10CA2PARP4PARP1 | |
| Iodide SCHEMBL11262176 | 0.68 | ALDH1A1 (0.44) | NNMTACHEPARP10CA2PARP4 | |
| Trigonellamide SCHEMBL5145685 | 0.68 | NNMT (0.96) | NNMTACHEPARP1KMT2APOLB |
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-4361571-A | 3-Carbamoyl-6-aminopyridinium and analogues, and their use in treating skin disorders | SCOTT EUGENE J VAN | 1982-11-30 | — | — | US | disclosed |