Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL103241 | 0.86 | — | — | |
| Bromide SCHEMBL8915672 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2183489 | 0.83 | — | — | |
| Sulfuric Acid SCHEMBL28282962 | 0.80 | CA5A (0.38) | ALDH1A1CA2LMNABLMSLC6A6 | |
| Sulfuric Acid SCHEMBL5460690 | 0.80 | CA5A (0.38) | ALDH1A1CA2LMNABLMSLC6A6 | |
| Silicate SCHEMBL11481289 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CA2LMNAFDPSPDE3A | |
| Alcohol SCHEMBL19272446 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LMNAFDPSPDE3AADRB3 | |
| Sulfuric Acid SCHEMBL5460175 | 0.75 | LMNA (0.35) | LMNABLMSLC6A6CYP2C19FDPS | |
| SCHEMBL1832184 | 0.74 | LMNA (0.38) | LMNABLMSLC6A6CYP2C19FDPS | |
| SCHEMBL162507 | 0.74 | BLM (0.38) | LMNABLMSLC6A6CYP2C19FDPS |
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-7671080-B2 | 1-benzylindole-2-carboxamide derivatives | N.V. ORGANON (NL) | 2010-03-02 | — | — | US | disclosed |
| US-20080280923-A1 | 1-Benzylindole-2-Carboxamide Derivatives | N.V. ORGANON (NL) | 2008-11-13 | — | — | US | disclosed |
| EP-1940788-A1 | 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES | N.V. Organon (NL) | 2008-07-09 | — | — | EP | disclosed |
| WO-2006100208-A9 | 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES | ORGANON NV (NL) | 2007-11-22 | — | — | WO | disclosed |
| WO-2006100208-A1 | 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES | N.V. ORGANON (NL) | 2006-09-28 | — | — | 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 (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-20080280923-A1 | 1-Benzylindole-2-Carboxamide Derivatives | CNR2, CNR1, HTR2C | ADRB3 118/4885ALDH1A1 151/4885CA2 1367/4885 |
“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.