Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 8/20 | 0.60 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | GRK6 | P43250 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.48 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7393888 | 0.88 | AMY1A (0.67) | AMY1AMMP2MMP9MMP8GRK6 | |
| SCHEMBL7393892 | 0.87 | AMY1A (0.79) | AMY1AMMP2MMP9MMP8MAPT | |
| SCHEMBL7395130 | 0.85 | AMY1A (0.69) | AMY1AMAPTTP53TDP1SMPD3 | |
| SCHEMBL28481902 | 0.85 | MMP2 (0.59) | AMY1AMMP2MMP9MMP8MAPT | |
| SCHEMBL7373629 | 0.84 | MMP2 (0.58) | MMP2MMP9MMP8MAPTTP53 | |
| SCHEMBL7365686 | 0.83 | AMY1A (0.56) | AMY1AGRK6MAPTSMPD3NPC1 | |
| SCHEMBL24140790 | 0.83 | AMY1A (0.62) | AMY1AMAPTTDP1SMPD3NOX1 | |
| SCHEMBL7389695 | 0.81 | PARP1 (0.51) | AMY1AMMP2MMP9MMP8MAPT | |
| SCHEMBL12471484 | 0.80 | AMY1A (0.72) | AMY1AMMP2MMP9MMP8MAPT | |
| SCHEMBL7397857 | 0.78 | MMP2 (0.63) | MMP2MMP9MMP8MAPTTP53 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001066526-A1 | ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM | CERMOL S.A. (CH) | 2001-09-13 | — | — | WO | disclosed |
| EP-1132381-A1 | Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them | CERMOL S.A. (CH) | 2001-09-12 | — | — | EP | disclosed |
| 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 |