Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348202 | 1.00 | ALDH1A1 (0.56) | ALDH1A1RAB9AMMP8ACP3EPHX1 | |
| SCHEMBL24024007 | 0.90 | GAA (0.51) | ALDH1A1RAB9AACP3 | |
| SCHEMBL8065316 | 0.90 | ALDH1A1 (0.64) | ALDH1A1RAB9AMMP8ACP3 | |
| SCHEMBL9554646 | 0.90 | ALDH1A1 (0.64) | ALDH1A1RAB9AMMP8ACP3 | |
| SCHEMBL26523520 | 0.84 | CYP1A2 (0.47) | ALDH1A1RAB9AACP3EPHX1CYP1A2 | |
| SCHEMBL1576808 | 0.84 | PDCD1 (0.49) | ALDH1A1RAB9AACP3EPHX1CYP1A2 | |
| SCHEMBL5653973 | 0.84 | PDCD1 (0.49) | ALDH1A1RAB9AACP3EPHX1CYP1A2 | |
| SCHEMBL8843830 | 0.84 | EPHX1 (0.51) | EPHX1 | |
| SCHEMBL5653982 | 0.84 | PDCD1 (0.49) | ALDH1A1RAB9AACP3EPHX1CYP1A2 | |
| SCHEMBL9706212 | 0.84 | EPHX1 (0.51) | EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1268117-A | Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis | DU PONT PHARM CO (US) | 2000-09-27 | — | — | CN | 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 | 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 |