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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 known ✓ | P30411 | 5/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30006067 | 0.79 | KCNH2 (0.40) | BDKRB2KCNH2CXCR4CCR1CCR8 | |
| Hydrochloric Acid SCHEMBL1770569 | 0.76 | BDKRB2 (0.49) | BDKRB2LMNAHSD17B10 | |
| SCHEMBL681574 | 0.74 | KCNH2 (0.64) | KCNH2CCR1CCR8SMN1; SMN2NOS3 | |
| Hydrochloric Acid SCHEMBL3862054 | 0.74 | CYSLTR1 (0.47) | BDKRB2SMN1; SMN2LMNATP53 | |
| SCHEMBL427622 | 0.74 | KCNH2 (0.52) | KCNH2CCR1CCR8SMN1; SMN2MBOAT4 | |
| SCHEMBL30006319 | 0.73 | KCNH2 (0.45) | KCNH2CCR1CCR8SMN1; SMN2MAPT | |
| SCHEMBL10373980 | 0.73 | KCNH2 (0.74) | KCNH2CCR1CCR8SMN1; SMN2NOS3 | |
| SCHEMBL23153062 | 0.72 | CCR1 (0.38) | KCNH2CXCR4CCR1CCR8SMN1; SMN2 | |
| SCHEMBL16227752 | 0.72 | KCNH2 (0.78) | KCNH2CCR1CCR8SMN1; SMN2 | |
| SCHEMBL22299298 | 0.72 | KCNH2 (0.78) | KCNH2CCR1CCR8SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7381743-B2 | Macrocycles for the treatment of cancer | LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) | 2008-06-03 | — | — | US | disclosed |
| US-20070105905-A1 | Novel macrocycles for the treatment of cancer | LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) | 2007-05-10 | — | — | 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-20070105905-A1 | Novel macrocycles for the treatment of cancer | HCCS, FOLR1, AURKAIP1 | BDKRB2 472/4885KCNH2 4259/4885CXCR4 1988/4885 |
“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.