Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 13/20 | 1.00 |
| ▸ | MMP1 | P03956 | 10/20 | 1.00 |
| ▸ | MMP2 | P08253 | 4/20 | 0.52 |
| ▸ | MMP3 | P08254 | 4/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 3/20 | 0.48 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13043584 | 0.92 | MMP1 (0.85) | MMP13MMP1MMP2MMP3MMP9 | |
| SCHEMBL7212751 | 0.90 | MMP13 (0.82) | MMP13MMP1MMP2MMP3MMP8 | |
| SCHEMBL7207764 | 0.89 | MMP13 (1.00) | MMP13MMP1MMP2MMP3MMP8 | |
| SCHEMBL7212102 | 0.89 | MMP13 (0.80) | MMP13MMP1MMP2MMP3MMP8 | |
| SCHEMBL7207036 | 0.85 | MMP1 (0.74) | MMP13MMP1MMP2MMP3MMP9 | |
| SCHEMBL7212123 | 0.80 | MMP1 (1.00) | MMP13MMP1MMP2MMP3MMP8 | |
| SCHEMBL20444027 | 0.80 | MMP1 (0.72) | MMP13MMP1MMP2MMP3MMP9 | |
| SCHEMBL7207026 | 0.80 | MMP13 (0.68) | MMP13MMP1MMP2MMP3MMP8 | |
| SCHEMBL7212140 | 0.78 | MMP1 (0.65) | MMP13MMP1MMP2MMP3MMP9 | |
| SCHEMBL7213401 | 0.75 | MMP1 (0.66) | MMP13MMP1MMP2MMP3MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0939628-B1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6013649-A | BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS | MONSANTO COMPANY (US) | 2000-01-11 | — | — | US | disclosed |
| EP-0939628-A4 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 1999-12-22 | — | — | EP | disclosed |
| EP-0939628-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998003164-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1998-01-29 | — | — | WO | disclosed |