Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28195525 | 0.98 | CES2 (0.41) | CES2CES1ACLYALDH1A1LMNA | |
| SCHEMBL5138444 | 0.98 | CES2 (0.41) | CES2CES1ACLYALDH1A1LMNA | |
| SCHEMBL1416183 | 0.76 | CES2 (0.38) | CES2CES1ACLYALDH1A1LMNA | |
| SCHEMBL2180225 | 0.76 | CES2 (0.38) | CES2CES1ACLYALDH1A1LMNA | |
| SCHEMBL7430814 | 0.74 | CA2 (0.33) | ALDH1A1CA2 | |
| SCHEMBL3100175 | 0.74 | DAO (0.43) | ALDH1A1CA2 | |
| SCHEMBL5138441 | 0.74 | CES2 (0.37) | CES2CES1ACLYALDH1A1LMNA | |
| SCHEMBL18701683 | 0.74 | CA2 (0.33) | CA2 | |
| SCHEMBL23569834 | 0.73 | CA2 (0.36) | CES2CES1ACLYALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL28853117 | 0.73 | CA2 (0.33) | ALDH1A1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101541762-A | Pyridazin-4-ylmethyl-sulfonamide compounds as fungicides and against arthropods | BASF SE (DE) | 2009-09-23 | — | — | CN | disclosed |
| CN-101516837-A | Sulfonamide derivatives | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | CN | disclosed |
| US-6890956-B2 | Cyclohexyl sulphones as gamma-secretase inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-10 | — | — | US | disclosed |
| US-20040121995-A1 | Cyclohexyl sulphones as gamma-secretase inhibitors | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2004-06-24 | — | — | 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-20040121995-A1 | Cyclohexyl sulphones as gamma-secretase inhibitors | BACE1, BACE2, APP | CES2 1818/4885CES1 116/4885ACLY 1917/4885 |
“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.