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 | |
|---|---|---|---|---|
| ▸ | HRAS | P01112 | 14/20 | 0.71 |
| ▸ | ESR1 | P03372 | 13/20 | 0.71 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.71 |
| ▸ | TOP1 | P11387 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30469493 | 0.87 | HRAS (0.79) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL7510361 | 0.85 | HRAS (0.76) | HRASESR1ESR2TOP1KDM4E | |
| Netropsin SCHEMBL197747 | 0.84 | TOP1 (0.74) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL14267762 | 0.84 | TOP1 (0.74) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL10688614 | 0.84 | KDM4E (0.76) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL9124388 | 0.84 | KDM4E (0.76) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL29394871 | 0.84 | HRAS (0.78) | HRASESR1ESR2TOP1KDM4E | |
| Hydrochloric Acid SCHEMBL6548715 | 0.84 | KDM4E (0.76) | HRASESR1ESR2TOP1KDM4E | |
| SCHEMBL17577320 | 0.83 | HRAS (0.73) | HRASESR1ESR2TOP1KDM4E | |
| Netropsin SCHEMBL4953090 | 0.83 | TOP1 (0.72) | HRASESR1ESR2TOP1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2846788-A1 | USE OF COMPOUNDS FOR THE TREATMENT OF PAIN | Akron Molecules AG (AT) | 2015-03-18 | — | — | EP | disclosed |
| WO-2013167743-A1 | USE OF COMPOUNDS FOR THE TREATMENT OF PAIN | AKRON MOLECULES GMBH (AT) | 2013-11-14 | — | — | WO | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |