Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.35 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7373423 | 0.84 | MMP2 (0.47) | ALDH1A1CRHBPCRHR2NR1I2GAA | |
| SCHEMBL7373907 | 0.82 | GAA (0.40) | ALDH1A1CRHBPCRHR2CYP1A2GAA | |
| SCHEMBL7369916 | 0.81 | CRHBP (0.46) | ALDH1A1CRHBPCRHR2CYP1A2HIF1A | |
| SCHEMBL7373195 | 0.81 | ERN1 (0.41) | ALDH1A1CRHBPCRHR2NR1I2GAA | |
| SCHEMBL7368956 | 0.79 | ALDH1A1 (0.38) | ALDH1A1PPARGEIF4A1CYP1A2CYP3A4 | |
| SCHEMBL8733159 | 0.79 | ALDH1A1 (0.35) | ALDH1A1PPARGEIF4A1CYP1A2CYP3A4 | |
| SCHEMBL7373198 | 0.78 | RAB9A (0.37) | ALDH1A1CRHBPCRHR2CYP3A4HIF1A | |
| SCHEMBL7372386 | 0.77 | MAPT (0.47) | ALDH1A1CYP1A2HIF1AGAAMEN1 | |
| SCHEMBL7372667 | 0.70 | TTR (0.41) | ALDH1A1CRHBPCRHR2CYP1A2HIF1A | |
| SCHEMBL7375625 | 0.67 | MMP2 (0.40) | ALDH1A1CRHBPCRHR2GAAMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |
| EP-0237929-B1 | 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-02 | — | — | EP | disclosed |
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |