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 | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 6/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 5/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.46 |
| ▸ | C1S | P09871 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 5/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3368569 | 0.95 | PRSS1 (0.50) | PRSS1PRSS3PRSS2C1SCES2 | |
| Hydrochloric Acid SCHEMBL1436209 | 0.92 | PRSS1 (0.48) | PRSS1PRSS3PRSS2C1SCES2 | |
| SCHEMBL10144276 | 0.79 | PRSS1 (0.71) | PRSS1PRSS3PRSS2C1SCES2 | |
| Hydrochloric Acid SCHEMBL9340626 | 0.78 | CES2 (0.46) | PRSS1PRSS3PRSS2C1SCES2 | |
| Hydrochloric Acid SCHEMBL1435853 | 0.78 | PARP1 (0.59) | PRSS1PRSS3PRSS2C1SCES2 | |
| SCHEMBL4088949 | 0.76 | CES2 (0.42) | PRSS1PRSS3PRSS2C1SCES2 | |
| Hydrochloric Acid SCHEMBL9342671 | 0.75 | LMNA (0.54) | PRSS1PRSS3PRSS2C1SF2 | |
| Hydrochloric Acid SCHEMBL9339544 | 0.75 | PRSS1 (0.41) | PRSS1PRSS3PRSS2C1SF2 | |
| SCHEMBL13948235 | 0.74 | PRSS1 (0.63) | PRSS1PRSS3PRSS2C1SF2 | |
| SCHEMBL12634680 | 0.72 | CES2 (0.50) | PRSS1PRSS3PRSS2C1SCES2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115023427-A | Pyrazolotriazines | 拜耳公司 | 2022-09-06 | — | — | CN | disclosed |
| EP-1441719-B1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | disclosed |
| US-7803819-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2010-09-28 | — | — | US | disclosed |
| US-7314884-B2 | non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile | HOFFMANN-LA ROCHE INC. (US) | 2008-01-01 | — | — | US | disclosed |
| US-20070259925-A1 | DPP IV INHIBITORS | BOEHRINGER MARKUS | 2007-11-08 | — | — | US | disclosed |
| US-20050096348-A1 | DPP IV inhibitors | BOEHRINGER MARKUS (CH) | 2005-05-05 | — | — | US | disclosed |
| US-6861440-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-03-01 | — | — | US | disclosed |
| EP-1441719-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| US-20030130281-A1 | DPP IV inhibitors | HOFFMAN-LA ROCHE INC. | 2003-07-10 | — | — | US | disclosed |
| WO-2003037327-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-05-08 | — | — | 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 (3 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-20070259925-A1 | DPP IV INHIBITORS | DPP4, DPP3, DPP7 | PRSS1 37/4885PRSS3 39/4885PRSS2 94/4885 |
| US-20030130281-A1 | DPP IV inhibitors | DPP4, DPP3, DPP7 | PRSS1 34/4885PRSS3 53/4885PRSS2 81/4885 |
| US-20050096348-A1 | DPP IV inhibitors | DPP4, DPP3, DPP7 | PRSS1 37/4885PRSS3 39/4885PRSS2 94/4885 |
“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.