Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 8/20 | 0.71 |
| ▸ | MMP3 | P08254 | 2/20 | 0.71 |
| ▸ | MMP8 | P22894 | 2/20 | 0.71 |
| ▸ | CA2 | P00918 | 7/20 | 0.57 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.48 |
| ▸ | LOX | P28300 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7207184 | 0.84 | CA2 (0.66) | MMP13MMP3MMP8CA2MMP1 | |
| SCHEMBL7213456 | 0.83 | MMP13 (1.00) | MMP13MMP3MMP8CA2MMP2 | |
| SCHEMBL7208443 | 0.81 | CA2 (0.62) | MMP13MMP3MMP8CA2MMP2 | |
| SCHEMBL3917294 | 0.78 | CA2 (0.67) | MMP13MMP3MMP8CA2MMP1 | |
| SCHEMBL7208413 | 0.78 | MMP13 (0.44) | MMP13MMP3MMP8CA2MMP2 | |
| SCHEMBL7298810 | 0.77 | CA2 (0.65) | MMP13MMP3MMP8CA2MMP1 | |
| SCHEMBL7295500 | 0.77 | CA2 (0.65) | MMP13MMP3MMP8CA2MMP1 | |
| SCHEMBL1007970 | 0.77 | CA2 (0.65) | MMP13MMP3MMP8CA2MMP1 | |
| SCHEMBL7212133 | 0.77 | MMP1 (0.71) | MMP13MMP3MMP8CA2MMP2 | |
| SCHEMBL11309979 | 0.76 | CA2 (0.81) | MMP13MMP3MMP8CA2MMP1 |
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 |