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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL30386429 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL5845828 | 0.85 | CA1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL5847590 | 0.82 | PLAU (0.47) | — | |
| SCHEMBL7330962 | 0.80 | MGLL (0.42) | — | |
| Hydrochloric Acid SCHEMBL5848146 | 0.80 | PLAU (0.42) | — | |
| SCHEMBL1457681 | 0.79 | PLAU (0.49) | — | |
| Hydrochloric Acid SCHEMBL23201138 | 0.79 | LOXL2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL15251850 | 0.78 | LOXL2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL5846787 | 0.78 | PLAU (0.48) | — | |
| SCHEMBL8691209 | 0.77 | TPSAB1 (0.48) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7119094-B1 | Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade | WARNER-LAMBERT COMPANY (US) | 2006-10-10 | — | — | US | disclosed |
| EP-1586565-A1 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | Pharmacia Corporation (US) | 2005-10-19 | — | — | EP | disclosed |
| US-6908919-B2 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-06-21 | — | — | US | disclosed |
| EP-1202975-B1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORP (US) | 2005-04-06 | — | — | EP | disclosed |
| US-20050043313-A1 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2005-02-24 | — | — | US | disclosed |
| US-20040102448-A1 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-05-27 | — | — | US | disclosed |
| US-20040006230-A1 | Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases | PHARMACIA CORPORATION | 2004-01-08 | — | — | US | disclosed |
| US-6664255-B1 | 1-alkylamido-3-amino substituted; inhibiting serine proteases | PHARMACIA CORPORATION | 2003-12-16 | — | — | US | disclosed |
| EP-1292579-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1202975-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001087854-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | disclosed |
| WO-2000069834-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2000-11-23 | — | — | WO | disclosed |