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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 19/20 | 0.75 |
| ▸ | CTSS | P25774 | 13/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL4447920 | 0.87 | CTSK (1.00) | CTSKCTSSKCNH2 | |
| Hydrochloric Acid SCHEMBL5548110 | 0.82 | CTSK (0.80) | CTSKCTSS | |
| SCHEMBL4444344 | 0.80 | CTSK (1.00) | CTSKCTSSKCNH2 | |
| SCHEMBL4453855 | 0.78 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL4442260 | 0.77 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL4440664 | 0.72 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL4452268 | 0.70 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL4446382 | 0.70 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL4444529 | 0.69 | CTSK (0.67) | CTSKCTSS | |
| SCHEMBL4446175 | 0.69 | CTSK (1.00) | CTSKCTSS |
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-1758870-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121106-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2005-12-22 | — | — | WO | disclosed |