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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6115387 | 0.98 | KDM4E (0.47) | KDM4EACHENPC1BRD4MITF | |
| SCHEMBL2760994 | 0.89 | KDM4E (0.49) | KDM4EACHEGGPS1FDPSLTA4H | |
| Hydrochloric Acid SCHEMBL2761038 | 0.88 | KDM4E (0.49) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| Hydrochloric Acid SCHEMBL2761023 | 0.88 | KDM4E (0.49) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| SCHEMBL468675 | 0.86 | KDM4E (0.50) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| SCHEMBL2761016 | 0.86 | KDM4E (0.50) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| SCHEMBL2761243 | 0.86 | KDM4E (0.50) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| SCHEMBL2761291 | 0.86 | KDM4E (0.50) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| SCHEMBL2760858 | 0.86 | KDM4E (0.50) | KDM4EGGPS1FDPSLTA4HHSP90AA1 | |
| SCHEMBL21456850 | 0.74 | KDM4E (0.66) | KDM4EHSP90AA1RAD52ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9555394-B2 | Method of making ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-01-31 | — | — | US | disclosed |
| US-20140057048-A1 | METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-02-27 | — | — | US | disclosed |
| US-8623279-B2 | Ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-01-07 | — | — | US | disclosed |
| US-20120128551-A1 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-05-24 | — | — | US | disclosed |
| WO-2010135660-A2 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-11-25 | — | — | WO | disclosed |