Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 9/20 | 0.65 |
| ▸ | GUSB | P08236 | 3/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SI | P14410 | 1/20 | 0.52 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7396876 | 0.85 | ALOX5 (0.62) | AMY1AGUSBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL7396878 | 0.85 | ALOX5 (0.78) | AMY1ACYP1A1CYP1A2CYP1B1ALOX5 | |
| SCHEMBL15456540 | 0.82 | CYP1A1 (0.69) | AMY1AGUSBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL7395696 | 0.82 | AMY1A (0.77) | AMY1ACYP1A1CYP1A2CYP1B1ALOX5 | |
| SCHEMBL7395692 | 0.82 | AMY1A (0.62) | AMY1ACYP1A1CYP1A2CYP1B1ALOX5 | |
| SCHEMBL7271955 | 0.79 | KDM4E (0.62) | AMY1AGUSBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL31737379 | 0.79 | CYP1A1 (0.58) | GUSBCYP1A1CYP1A2CYP1B1NOX1 | |
| SCHEMBL15224066 | 0.79 | CYP1A1 (0.55) | AMY1ACYP1A1CYP1A2CYP1B1ALOX5 | |
| SCHEMBL12470812 | 0.79 | CYP1A1 (0.58) | GUSBCYP1A1CYP1A2CYP1B1NOX1 | |
| SCHEMBL7997763 | 0.79 | CYP1A1 (0.52) | AMY1AGUSBCYP1A1CYP1A2CYP1B1 |
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 2 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 |