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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6813785 | 0.65 | CD44 (0.35) | CD44CA1CA2CA7CA9 | |
| SCHEMBL4021982 | 0.61 | ACHE (0.57) | CD44CA1CA2CA7CA9 | |
| SCHEMBL4161420 | 0.60 | CA1 (0.48) | CD44CA1CA2CA7CA9 | |
| SCHEMBL28216141 | 0.59 | CYP2A6 (0.36) | CD44CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL29074030 | 0.55 | CYP2A6 (0.47) | CD44CA1CA2CA7CA9 | |
| SCHEMBL28613659 | 0.55 | HTR7 (0.49) | CD44CA1CA2CA7CA9 | |
| SCHEMBL1044029 | 0.54 | ACHE (0.44) | CD44CA1CA2CA7CA9 | |
| SCHEMBL12578985 | 0.53 | NOS3 (0.52) | CD44CA1CA2CA7CA9 | |
| SCHEMBL6036681 | 0.53 | TDP2 (0.52) | CA1CA2CA7CA9 | |
| SCHEMBL13550660 | 0.53 | CYP3A4 (0.50) | CD44 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |
| US-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |
| EP-0841375-B1 | Impact-resistant polystyrene resin composition | UBE INDUSTRIES (JP) | 2002-05-22 | — | — | EP | disclosed |
| EP-0778291-B1 | Catalyst and process for producing conjugated diene polymer | UBE INDUSTRIES (JP) | 2001-03-28 | — | — | EP | disclosed |
| US-6071845-A | OBTAINED BY CONTACTING A COMPOUND OF A TRANSITION METAL OF THE GROUP V OF THE PERIODIC TABLE WITH AN IONIC COMPOUND COMPRISING A NON-COORDINATING ANION AND A CATION AND AN ALUMINOXANE | UBE INDUSTRIES, LTD. (JP) | 2000-06-06 | — | — | US | disclosed |
| US-5981667-A | CONTAINING DISPERSED PARTICLES OF HIGH-CIS HIGH-VINYL POLYBUTADIENE COMPRISING FROM 65 TO 95% CIS-1,4-STRUCTURES AND FROM 30 TO 4% 1,2-STRUCTURES | UBE INDUSTRIES, LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0919574-A1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | Ube Industries, Ltd. (JP) | 1999-06-02 | — | — | EP | disclosed |
| EP-0841375-A1 | Impact-resistant polystyrene resin composition | UBE INDUSTRIES, LTD. (JP) | 1998-05-13 | — | — | EP | disclosed |
| EP-0778291-A1 | Catalyst and process for producing conjugated diene polymer | UBE INDUSTRIES, LTD. (JP) | 1997-06-11 | — | — | EP | disclosed |