Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 12/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA3 | P07451 | 5/20 | 0.41 |
| ▸ | CA4 | P22748 | 5/20 | 0.41 |
| ▸ | CA6 | P23280 | 5/20 | 0.41 |
| ▸ | CA7 | P43166 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.41 |
| ▸ | CA5A | P35218 | 4/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7213458 | 0.84 | MMP13 (0.63) | MMP13MMP3MMP8CA2CA12 | |
| SCHEMBL7208410 | 0.78 | MMP13 (0.71) | MMP13MMP3MMP8CA2ALDH1A1 | |
| SCHEMBL10413097 | 0.74 | SIRT1 (0.47) | CA2CA12CA1CA3CA4 | |
| SCHEMBL7208440 | 0.73 | CA2 (0.44) | CA2KDM4EALDH1A1HPGDAPEX1 | |
| SCHEMBL1018229 | 0.72 | CA2 (0.60) | MMP13MMP8CA2CA12CA1 | |
| SCHEMBL2451404 | 0.71 | PLCG1 (0.60) | CA2CA1CA4CA6MAPT | |
| SCHEMBL1272695 | 0.71 | CA2 (0.58) | CA2KMT2AMEN1 | |
| SCHEMBL10789247 | 0.71 | MAPT (0.46) | CA2CA12CA1CA3CA4 | |
| SCHEMBL5683257 | 0.71 | MAPT (0.46) | CA2CA12CA1CA3CA4 | |
| SCHEMBL5013613 | 0.71 | CA2 (0.51) | CA2CA12CA1CA3CA4 |
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 |