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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 2/20 | 0.48 |
| ▸ | HRAS | P01112 | 8/20 | 0.47 |
| ▸ | ESR1 | P03372 | 7/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.34 |
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917157 | 0.82 | HRAS (0.54) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL7328867 | 0.82 | HRAS (0.54) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL7127894 | 0.82 | HRAS (0.69) | TOP1HRASESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL6180839 | 0.81 | KDM4E (0.54) | TOP1HRASESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL10424238 | 0.81 | TOP1 (0.70) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL6912559 | 0.80 | HRAS (0.57) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL7117804 | 0.79 | HRAS (0.48) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL7118414 | 0.79 | HRAS (0.48) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL7127781 | 0.79 | HRAS (0.48) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL30644155 | 0.78 | HRAS (0.47) | TOP1HRASESR1ESR2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4912199-A | Containing five-member heterocyclic moiety | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 1990-03-27 | — | — | US | disclosed |