Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CPS1 | P31327 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | CDC42 | P60953 | 1/20 | 0.36 |
| ▸ | RAC1 | P63000 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5038048 | 0.83 | PTGS2 (0.39) | PTGS2APPCYP2C19TAAR1AKR1C3 | |
| SCHEMBL2345247 | 0.83 | PTGS2 (0.45) | PTGS2CPS1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL1462346 | 0.81 | PTGS2 (0.44) | PTGS2APPCYP2C19TAAR1CPS1 | |
| SCHEMBL17284101 | 0.80 | PTGS2 (0.54) | PTGS2APPCYP2C19TAAR1AKR1C3 | |
| SCHEMBL2347876 | 0.78 | PTGS2 (0.45) | PTGS2APPCYP2C19CPS1AKR1C3 | |
| SCHEMBL2352769 | 0.78 | ALDH1A1 (0.49) | AKR1C3AKR1C2ALDH1A1GAA | |
| SCHEMBL18890127 | 0.76 | ALDH1A1 (0.44) | PTGS2AKR1C3AKR1C2ALDH1A1LDHA | |
| SCHEMBL22609776 | 0.75 | PTGS2 (0.40) | PTGS2APPCYP2C19TAAR1CPS1 | |
| SCHEMBL2349189 | 0.75 | AKR1C3 (0.43) | PTGS2APPCYP2C19CPS1AKR1C3 | |
| SCHEMBL5041275 | 0.74 | LDHA (0.40) | PTGS2APPCYP2C19AKR1C3AKR1C2 |
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-1567498-B1 | MANDELIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-7129238-B2 | Mandelic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-31 | — | — | US | disclosed |
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | 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-20040122057-A1 | Novel mandelic acid derivatives | F7, F11, F9 | PTGS2 3734/4885APP 4301/4885CYP2C19 585/4885 |
“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.