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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | AOC2 | O75106 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL377638 | 0.77 | GAA (0.65) | ALOX15TSHRMAPK10TDP1SMN1; SMN2 | |
| SCHEMBL11077869 | 0.77 | ALOX15 (0.48) | ALOX15LTA4HTSHRMAPK10TDP1 | |
| Hydrochloric Acid SCHEMBL2983751 | 0.76 | ALOX15 (0.47) | ALOX15LTA4HTSHRMAPK10TDP1 | |
| Bromide SCHEMBL1858718 | 0.76 | GAA (0.63) | ALOX15TSHRMAPK10TDP1SMN1; SMN2 | |
| SCHEMBL7331903 | 0.74 | ALOX15 (0.55) | ALOX15TSHRMAPK10TDP1SMN1; SMN2 | |
| Alcohol SCHEMBL28230448 | 0.74 | GAA (0.61) | ALOX15TSHRMAPK10TDP1SMN1; SMN2 | |
| Phenetole SCHEMBL28364557 | 0.74 | LTA4H (0.77) | ALOX15LTA4HTSHRTDP1SMN1; SMN2 | |
| Phenetole SCHEMBL14953872 | 0.72 | LTA4H (0.74) | LTA4HTSHRTDP1SMN1; SMN2NPC1 | |
| Phenetole SCHEMBL14953958 | 0.72 | LTA4H (0.74) | LTA4HTSHRTDP1SMN1; SMN2NPC1 | |
| Phenetole SCHEMBL27928571 | 0.72 | LTA4H (0.74) | ALOX15LTA4HTSHRTDP1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786128-B2 | Indole or benzimidazole derivatives as CB1 inverse agonists | HOFFMANN-LA ROCHE INC. (US) | 2010-08-31 | — | — | US | disclosed |
| US-20080234290-A1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS | BLEICHER KONRAD | 2008-09-25 | — | — | US | disclosed |
| EP-1807398-B1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | EP | disclosed |
| US-7384945-B2 | Indole or benzimidazole derivatives as CB1 inverse agonists | HOFFMANN-LA ROCHE INC. (US) | 2008-06-10 | — | — | US | disclosed |
| US-20060089367-A1 | New indole or benzimidazole derivatives as CB1 inverse agonists | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-27 | — | — | 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 (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-20060089367-A1 | New indole or benzimidazole derivatives as CB1 inverse agonists | CNR1, CNR2, GPR119 | ALOX15 1522/4885LTA4H 1787/4885TSHR 354/4885 |
| US-20080234290-A1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS | CNR1, CNR2, GPR119 | ALOX15 1522/4885LTA4H 1787/4885TSHR 354/4885 |
“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.