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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.83 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.83 |
| ▸ | NPC1 | O15118 | 1/20 | 0.83 |
| ▸ | CCR1 | P32246 | 6/20 | 0.50 |
| ▸ | CCR8 | P51685 | 6/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.46 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 4/20 | 0.44 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL250356 | 0.91 | L3MBTL1 (1.00) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL31020232 | 0.89 | L3MBTL1 (0.95) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL28307634 | 0.89 | L3MBTL1 (0.95) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL30753478 | 0.89 | L3MBTL1 (0.95) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL28554364 | 0.89 | L3MBTL1 (0.95) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| Water SCHEMBL10480837 | 0.89 | L3MBTL1 (0.95) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL21297741 | 0.83 | L3MBTL1 (0.83) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL15624642 | 0.82 | L3MBTL1 (0.82) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| Phenanthroline SCHEMBL20503157 | 0.81 | L3MBTL1 (0.79) | HSP90AA1L3MBTL1NPC1CCR1CCR8 | |
| SCHEMBL2681389 | 0.80 | L3MBTL1 (0.78) | HSP90AA1L3MBTL1NPC1CCR1CCR8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546168-A4 | PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT | PURDUE RESEARCH FOUNDATION (US) | 2008-03-12 | — | — | EP | claimed |
| US-20060111335-A1 | Photoactivated anti-viral and anti-cancer agent | PURDUE RESEARCH FOUNDATION | 2006-05-25 | — | — | US | claimed |
| EP-1546168-A2 | PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT | PURDUE RESEARCH FOUNDATION (US) | 2005-06-29 | — | — | EP | claimed |
| WO-2004012667-A2 | PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT | PURDUE RESEARCH FOUNDATION (US) | 2004-02-12 | — | — | WO | claimed |
| US-20060111335-A1 | Photoactivated anti-viral and anti-cancer agent | PURDUE RESEARCH FOUNDATION | 2006-05-25 | — | — | 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-20060111335-A1 | Photoactivated anti-viral and anti-cancer agent | TP53, POLI, POLK | SLC6A2 4738/4885HSP90AA1 566/4885L3MBTL1 559/4885 |
“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.