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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.92 |
| ▸ | HTR2C | P28335 | 11/20 | 0.88 |
| ▸ | QDPR | P09417 | 2/20 | 0.60 |
| ▸ | HTR6 | P50406 | 3/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL415545 | 0.96 | SIGMAR1 (1.00) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL446973 | 0.94 | HTR2C (1.00) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| Bromide SCHEMBL11385943 | 0.94 | SIGMAR1 (0.96) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| SCHEMBL3899585 | 0.92 | SIGMAR1 (0.92) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| Acetonitrile SCHEMBL8683916 | 0.85 | SIGMAR1 (0.79) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| SCHEMBL4791120 | 0.85 | SIGMAR1 (0.79) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL4793458 | 0.83 | HTR2C (0.79) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| SCHEMBL1954669 | 0.83 | SIGMAR1 (0.77) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL6795900 | 0.82 | HTR2C (0.78) | SIGMAR1HTR2CQDPRHTR6HTR2A | |
| SCHEMBL7838514 | 0.80 | SIGMAR1 (0.70) | SIGMAR1HTR2CQDPRHTR6HTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2211854-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER USING BENZOPYRONE-TYPE PARP INHIBITORS | BiPar Sciences, Inc. (US) | 2010-08-04 | — | — | EP | disclosed |
| US-20090149417-A1 | Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors | BIPAR SCIENCES, INC. | 2009-06-11 | — | — | US | disclosed |
| EP-2059802-A2 | METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF | Bipar Sciences, Inc. (US) | 2009-05-20 | — | — | EP | disclosed |
| WO-2009051815-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER USING BENZOPYRONE-TYPE PARP INHIBITORS | BIPAR SCIENCES, INC. (US) | 2009-04-23 | — | — | WO | disclosed |
| US-20080076778-A1 | METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF | BIPAR SCIENCES, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| WO-2008030887-A2 | METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF | BIPAR SCIENCES, INC. (US) | 2008-03-13 | — | — | 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 (2 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-20090149417-A1 | Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors | PARP1, PARP2, PARP3 | SIGMAR1 4587/4885HTR2C 3290/4885QDPR 2247/4885 |
| US-20080076778-A1 | METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF | PARP3, PARP1, PARP15 | SIGMAR1 4571/4885HTR2C 2986/4885QDPR 543/4885 |
“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.