Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 9/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | MMP2 | P08253 | 9/20 | 0.60 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP3 | P08254 | 1/20 | 0.55 |
| ▸ | MMP7 | P09237 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | MME | P08473 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5572742 | 0.95 | MMP9 (0.62) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| SCHEMBL1203540 | 0.87 | MMP2 (0.79) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| SCHEMBL697477 | 0.87 | MMP2 (0.79) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| SCHEMBL697476 | 0.87 | MMP2 (0.79) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11133046 | 0.85 | MMP2 (0.77) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3839410 | 0.85 | MMP2 (0.77) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| SCHEMBL5572780 | 0.85 | MMP9 (0.62) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| Chloromethane SCHEMBL7649372 | 0.84 | MMP2 (0.75) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28872216 | 0.84 | MMP2 (0.75) | MMP9TDP1MMP2ADAMTS4ALDH1A1 | |
| SCHEMBL13957019 | 0.83 | MMP9 (0.66) | MMP9TDP1MMP2ADAMTS4ALDH1A1 |
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-1494700-A2 | CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS | Cytovia, Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2004002401-A2 | CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS | CYTOVIA, INC. (US) | 2004-01-08 | — | — | WO | disclosed |