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 | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 SCHEMBL4475118 | 0.96 | S1PR1 (0.32) | S1PR1S1PR5PTGS2 | |
| Hydrochloric Acid SCHEMBL4471932 | 0.92 | S1PR1 (0.33) | S1PR1S1PR5PTGS2 | |
| Hydrochloric Acid SCHEMBL4482659 | 0.88 | S1PR1 (0.34) | S1PR1S1PR5PTGS2 | |
| Hydrochloric Acid SCHEMBL4465423 | 0.85 | SLC6A2 (0.35) | PTGS2 | |
| Hydrochloric Acid SCHEMBL4461205 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4482602 | 0.85 | DHFR (0.34) | — | |
| Hydrochloric Acid SCHEMBL6523493 | 0.84 | SPHK1 (0.32) | SPHK1S1PR1S1PR5PTGS2 | |
| Hydrochloric Acid SCHEMBL4465475 | 0.84 | SLC6A2 (0.35) | PTGS2 | |
| Hydrochloric Acid SCHEMBL4469813 | 0.84 | TLR8 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4480043 | 0.84 | SLC6A2 (0.35) | PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569651-B2 | Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins | BASELL POLYPROPYLEN GMBH (DE) | 2009-08-04 | — | — | US | disclosed |
| US-7342078-B2 | Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2008-03-11 | — | — | US | disclosed |
| US-20060020096-A1 | Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins | SCHOTTEK JORG | 2006-01-26 | — | — | US | disclosed |