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 | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.61 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.59 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | FADS1 | O60427 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | GAK | O14976 | 1/20 | 0.45 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL248690 | 0.98 | HTR1A (0.63) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| Hydrochloric Acid SCHEMBL696334 | 0.96 | HTR1A (0.61) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL2478157 | 0.84 | MEN1 (0.57) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL30504562 | 0.84 | MEN1 (0.57) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| Hydrochloric Acid SCHEMBL28828326 | 0.82 | MEN1 (0.56) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| Hydrochloric Acid SCHEMBL6311928 | 0.82 | MEN1 (0.56) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL6752938 | 0.81 | HTR1A (0.68) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL29005643 | 0.78 | NPC1 (0.49) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL4500702 | 0.78 | HTR1A (0.63) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL9902520 | 0.78 | HTR1A (0.63) | HTR1AADRA1DADRA1AADRA1BFERMT2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | PRAP1, PRR12, SLC6A7 | HTR1A 1340/4885ADRA1D 1960/4885ADRA1A 2401/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.