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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 16/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3573158 | 0.98 | NR1H4 (0.62) | NR1H4OPRM1OPRL1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL3570263 | 0.98 | NR1H4 (0.62) | NR1H4OPRM1OPRL1LMNAPOLB | |
| SCHEMBL3568943 | 0.93 | NR1H4 (0.62) | NR1H4OPRM1OPRL1 | |
| Hydrochloric Acid SCHEMBL3559593 | 0.86 | NR1H4 (0.70) | NR1H4 | |
| Hydrochloric Acid SCHEMBL3565772 | 0.85 | NR1H4 (0.69) | NR1H4LMNA | |
| SCHEMBL3572447 | 0.84 | NR1H4 (0.70) | NR1H4 | |
| SCHEMBL29881174 | 0.84 | NR1H4 (0.70) | NR1H4 | |
| SCHEMBL3567346 | 0.84 | NR1H4 (0.72) | NR1H4 | |
| SCHEMBL29881247 | 0.83 | OPRM1 (0.44) | NR1H4OPRM1OPRL1LMNATP53 | |
| SCHEMBL3571505 | 0.83 | NR1H4 (0.64) | NR1H4LMNATP53POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-7645785-B2 | Benzimidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-01-12 | — | — | US | disclosed |
| EP-2038259-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| US-20080021027-A1 | Novel benzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-24 | — | — | US | disclosed |
| WO-2008000643-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | 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-20080021027-A1 | Novel benzimidazole derivatives | NR1H4, GPR119, GLP1R | NR1H4 1/4885OPRM1 2216/4885OPRL1 1273/4885 |
“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.