Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 5/20 | 0.40 |
| ▸ | MMP2 | P08253 | 4/20 | 0.40 |
| ▸ | MMP1 | P03956 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7276223 | 0.92 | REN (0.42) | CTSDMMP3MMP2MMP1REN | |
| SCHEMBL7276220 | 0.92 | REN (0.42) | CTSDMMP3MMP2MMP1REN | |
| SCHEMBL7274963 | 0.82 | YAP1 (0.38) | CTSDMMP3MMP2MMP1REN | |
| SCHEMBL10717336 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP2C19EPHX2 | |
| SCHEMBL7274926 | 0.75 | CTSK (0.47) | MMP3MMP2MMP1REN | |
| SCHEMBL10718604 | 0.74 | CTSK (0.52) | ALDH1A1REN | |
| SCHEMBL24530131 | 0.72 | YAP1 (0.49) | ALDH1A1CYP2C19 | |
| SCHEMBL10716186 | 0.72 | CTSK (0.48) | MMP3MMP2MMP1REN | |
| SCHEMBL7029711 | 0.71 | LTA4H (0.60) | MMP3MMP2MMP1ALDH1A1CYP2C19 | |
| SCHEMBL9389851 | 0.69 | ALDH1A1 (0.51) | CTSDMMP3MMP2MMP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | claimed |
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | disclosed |