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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.52 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 6/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4725181 | 0.97 | OPRM1 (0.55) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| Hydrochloric Acid SCHEMBL3428799 | 0.94 | OPRM1 (0.52) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL1581427 | 0.92 | OPRM1 (0.51) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL3541960 | 0.87 | DRD2 (0.49) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL795975 | 0.81 | ALDH1A1 (0.56) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL1427539 | 0.80 | CA12 (0.57) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL2229509 | 0.80 | MEN1 (0.62) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL3387449 | 0.80 | S1PR2 (0.43) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL4728073 | 0.80 | HSD11B1 (0.44) | OPRM1OPRK1OPRD1OPRL1DRD2 | |
| SCHEMBL5371705 | 0.80 | OPRM1 (0.55) | OPRM1OPRK1OPRD1OPRL1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2229363-A1 | RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009070869-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | WO | disclosed |