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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.82 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.82 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.82 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.82 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.82 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.82 |
| ▸ | MEN1 | O00255 | 5/20 | 0.82 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.82 |
| ▸ | THRB | P10828 | 4/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.82 |
| ▸ | HTT | P42858 | 3/20 | 0.82 |
| ▸ | TP53 | P04637 | 3/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.82 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.82 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.82 |
| ▸ | RECQL | P46063 | 2/20 | 0.82 |
| ▸ | BLM | P54132 | 2/20 | 0.82 |
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 | |
|---|---|---|---|---|
| SCHEMBL171207 | 0.98 | TDP1 (0.79) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Iodide SCHEMBL31635600 | 0.97 | TDP1 (0.77) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Hexamethyl Pararosaniline SCHEMBL9171 | 0.91 | TDP1 (1.00) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Hexamethyl Pararosaniline SCHEMBL94116 | 0.89 | TDP1 (0.96) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Brilliant Green SCHEMBL28216 | 0.88 | TDP1 (0.88) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Brilliant Green SCHEMBL171205 | 0.86 | TDP1 (0.84) | TDP1MEN1KMT2ATHRBMAPK1 | |
| SCHEMBL4657906 | 0.85 | MAPK1 (0.63) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Brilliant Green SCHEMBL28515271 | 0.85 | MEN1 (0.90) | TDP1MEN1KMT2ATHRBMAPK1 | |
| Brilliant Green SCHEMBL29379377 | 0.85 | MEN1 (0.85) | TDP1MEN1KMT2ATHRBMAPK1 | |
| SCHEMBL13998438 | 0.84 | MEN1 (0.66) | TDP1MEN1KMT2ATHRBMAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2111553-B1 | OPTICAL BIOSENSORS | UNIV CARNEGIE MELLON (US) | 2018-09-19 | — | — | EP | disclosed |
| US-9688743-B2 | Optical biosensors | CARNEGIE MELLON UNIVERSITY (US) | 2017-06-27 | — | — | US | disclosed |
| US-20140193830-A1 | OPTICAL BIOSENSORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-07-10 | — | — | US | disclosed |
| US-8664364-B2 | Optical biosensors | CARNEGIE MELLON UNIVERSITY (US) | 2014-03-04 | — | — | US | disclosed |
| EP-2629094-A1 | Optical biosensors | CARNEGIE MELLON UNIVERSITY (US) | 2013-08-21 | — | — | EP | disclosed |
| US-20110159519-A1 | OPTICAL BIOSENSORS | CARNEGIE MELLON UNIVERSITY (US) | 2011-06-30 | — | — | US | disclosed |
| EP-2111553-A2 | OPTICAL BIOSENSORS | Carnegie Mellon University (US) | 2009-10-28 | — | — | EP | disclosed |
| WO-2008092041-A2 | OPTICAL BIOSENSORS | CARNEGIE MELLON UNIVERSITY (US) | 2008-07-31 | — | — | 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-20110159519-A1 | OPTICAL BIOSENSORS | NCS1, MCU, LPO | CHRM2 3758/4885CHRM1 3859/4885CHRM3 2464/4885 |
| US-20140193830-A1 | OPTICAL BIOSENSORS | NCS1, MCU, LPO | CHRM2 3758/4885CHRM1 3859/4885CHRM3 2464/4885 |
“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.