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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 8/20 | 0.96 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.72 |
| ▸ | RAC1 | P63000 | 4/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.98 |
| ▸ | MAOB | P27338 | 1/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.87 |
| ▸ | MAPT | P10636 | 5/20 | 0.87 |
| ▸ | RAD52 | P43351 | 5/20 | 0.87 |
| ▸ | KDM1A | O60341 | 4/20 | 0.87 |
| ▸ | LMNA | P02545 | 4/20 | 0.87 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.87 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.87 |
| ▸ | POLB | P06746 | 1/20 | 0.87 |
| ▸ | GAA | P10253 | 1/20 | 0.87 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.87 |
| ▸ | EP300 | Q09472 | 6/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.81 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.79 |
| ▸ | APP | P05067 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL2742479 | 0.99 | RAC1 (1.00) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Columbamine SCHEMBL3324164 | 0.94 | CYP3A4 (0.98) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Jatrorrhizine SCHEMBL31238510 | 0.94 | CYP3A4 (0.98) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Jatrorrhizine SCHEMBL1427435 | 0.94 | CYP3A4 (0.98) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Columbamine SCHEMBL422073 | 0.93 | CYP3A4 (1.00) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Jatrorrhizine SCHEMBL564128 | 0.93 | CYP3A4 (1.00) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Jatrorrhizine SCHEMBL29368316 | 0.93 | CYP3A4 (1.00) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Columbamine SCHEMBL29395690 | 0.93 | CYP3A4 (1.00) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Jatrorrhizine SCHEMBL29381269 | 0.93 | CYP3A4 (1.00) | RAC1CYP1B1ACHEMAOBCYP3A4 | |
| Jatrorrhizine SCHEMBL21809027 | 0.92 | CYP3A4 (0.98) | RAC1CYP1B1ACHEMAOBCYP3A4 |
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-20100120810-A1 | COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES | EXONHIT THERAPEUTICS SA (FR) | 2010-05-13 | — | — | US | claimed |
| EP-2014651-A1 | Compounds and methods for modulating Rho GTPases | Exonhit Therapeutics SA (FR) | 2009-01-14 | — | — | EP | claimed |
| US-20100120810-A1 | COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES | EXONHIT THERAPEUTICS SA (FR) | 2010-05-13 | — | — | US | disclosed |
| EP-2014651-A1 | Compounds and methods for modulating Rho GTPases | Exonhit Therapeutics SA (FR) | 2009-01-14 | — | — | EP | 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-20100120810-A1 | COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES | RAC1, RAC2, RAC3 | ACHE 4129/4885CHRM1 3150/4885RAC1 1/4885 |
“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.