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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.68 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PON1 | P27169 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.45 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.45 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.45 |
| ▸ | ATP4A | P20648 | 1/20 | 0.45 |
| ▸ | ATP4B | P51164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL709151 | 0.97 | BCHE (0.72) | BCHEDDAH1POLBCXCR4SPHK2 | |
| SCHEMBL5138617 | 0.96 | BCHE (0.70) | BCHEDDAH1POLBCXCR4SPHK2 | |
| Hydrochloric Acid SCHEMBL709234 | 0.95 | BCHE (0.68) | BCHEDDAH1POLBCXCR4SPHK2 | |
| SCHEMBL20677816 | 0.89 | BCHE (0.87) | BCHEDDAH1POLBCXCR4TDP1 | |
| SCHEMBL20677807 | 0.85 | BCHE (0.87) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL8201381 | 0.82 | BCHE (1.00) | BCHEDDAH1POLBTDP1TSHR | |
| Hydrochloric Acid SCHEMBL710081 | 0.81 | BCHE (0.68) | BCHEPOLBTDP1NPC1RAB9A | |
| SCHEMBL24247365 | 0.80 | BCHE (0.81) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL11536288 | 0.80 | BCHE (0.70) | BCHEDDAH1POLBTDP1NPC1 | |
| SCHEMBL10144030 | 0.79 | BCHE (0.75) | BCHEDDAH1POLBTDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1910426-B1 | DIENE POLYMERISATION | INEOS SALES (UK) LTD (GB) | 2018-01-03 | — | — | EP | disclosed |
| US-8124698-B2 | Diene polymerisation | INEOS EUROPE LIMITED (GB) | 2012-02-28 | — | — | US | disclosed |
| US-20100022724-A1 | Diene Polymerisation | INEOS SALES (UK) LIMITED (GB) | 2010-01-28 | — | — | US | disclosed |