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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.95 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.95 |
| ▸ | EBP | Q15125 | 1/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29412724 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| SCHEMBL6648743 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| SCHEMBL6652640 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| SCHEMBL6648742 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| SCHEMBL29629099 | 0.98 | SIGMAR1 (1.00) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| Hydrochloric Acid SCHEMBL29360056 | 0.97 | SIGMAR1 (0.98) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| Hydrochloric Acid SCHEMBL7285292 | 0.97 | SIGMAR1 (0.98) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| Hydrochloric Acid SCHEMBL7285285 | 0.97 | SIGMAR1 (0.98) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| Hydrochloric Acid SCHEMBL7285300 | 0.97 | SIGMAR1 (0.98) | SIGMAR1TMEM97EBPKDM4ETRPM8 | |
| SCHEMBL2131382 | 0.86 | SIGMAR1 (0.79) | SIGMAR1TMEM97EBPKDM4ETRPM8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |