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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL925005 | 0.98 | CA1 (0.40) | CA1CA2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL6115185 | 0.92 | CA1 (0.37) | CA1CA2CYP2D6CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL5835817 | 0.90 | SIGMAR1 (0.40) | CA1CA2POLB | |
| SCHEMBL869647 | 0.88 | SIGMAR1 (0.41) | CA1CA2POLB | |
| SCHEMBL21314162 | 0.83 | SIGMAR1 (0.37) | CA1CA2POLB | |
| Hydrochloric Acid SCHEMBL382999 | 0.82 | ALDH1A1 (0.46) | CA1CA2POLBKMT2AATM | |
| SCHEMBL667064 | 0.80 | CHKA (0.46) | CA1CA2POLBKMT2AATM | |
| SCHEMBL21314160 | 0.79 | POLB (0.40) | POLBKMT2A | |
| SCHEMBL1076866 | 0.79 | KMT2A (0.42) | CA1CA2CYP2D6POLBKMT2A | |
| Iodide SCHEMBL2195240 | 0.79 | CHKA (0.44) | CA1CA2POLBKMT2AATM |
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 |
| US-6025496-A | Process for preparing heterocyclic carbenes | CELANESE GMBH (DE) | 2000-02-15 | — | — | US | disclosed |