Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 3/20 | 0.44 |
| ▸ | CAD | P27708 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL7352891 | 1.00 | ECE1 (0.44) | ECE1CADALOX15HTTCYP1A2 | |
| SCHEMBL27842904 | 0.87 | ECE1 (0.47) | ECE1CADALOX15HTTCYP1A2 | |
| Hydrochloric Acid SCHEMBL28220904 | 0.86 | ECE1 (0.46) | ECE1CADALOX15HTTCYP1A2 | |
| SCHEMBL7771085 | 0.85 | CAD (0.43) | CADALOX15HTTCYP1A2CYP2C9 | |
| SCHEMBL6046082 | 0.82 | ECE1 (0.45) | ECE1ALOX15HTTCYP1A2CYP2C9 | |
| SCHEMBL27537460 | 0.82 | ECE1 (0.45) | ECE1ALOX15HTTCYP1A2CYP2C9 | |
| SCHEMBL24096149 | 0.80 | EPHX1 (0.51) | — | |
| SCHEMBL7769892 | 0.80 | PPID (0.42) | CADALOX15ALDH1A1 | |
| SCHEMBL28879480 | 0.80 | CAD (0.44) | ECE1CADALOX15HTTCYP1A2 | |
| SCHEMBL13195777 | 0.80 | CAD (0.44) | ECE1CADALOX15HTTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1005448-A2 | NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS | Du Pont Pharmaceuticals Company (US) | 2000-06-07 | — | — | EP | claimed |
| WO-1999009000-A2 | NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-02-25 | — | — | WO | claimed |
| EP-1005448-A2 | NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS | Du Pont Pharmaceuticals Company (US) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999009000-A2 | NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |