Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 4/20 | 0.67 |
| ▸ | MMP13 | P45452 | 4/20 | 0.67 |
| ▸ | MMP3 | P08254 | 2/20 | 0.67 |
| ▸ | MMP1 | P03956 | 1/20 | 0.67 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7207812 | 0.82 | MMP13 (0.69) | MMP8MMP13MMP3MMP1MMP2 | |
| SCHEMBL7212036 | 0.81 | MMP13 (0.67) | MMP8MMP13MMP3MMP1MMP2 | |
| SCHEMBL7208687 | 0.80 | MMP13 (1.00) | MMP8MMP13MMP3MMP1MMP2 | |
| SCHEMBL7207566 | 0.78 | MMP8 (0.71) | MMP8MMP13MMP3MMP1MMP2 | |
| SCHEMBL12218767 | 0.75 | HDAC3 (0.55) | MMP8MMP13MMP3MMP1MMP2 | |
| SCHEMBL7212095 | 0.75 | MMP13 (0.68) | MMP8MMP13MMP3MMP1MMP2 | |
| SCHEMBL10995947 | 0.74 | HDAC1 (0.63) | MMP8MMP13MMP3MMP1CA2 | |
| SCHEMBL839323 | 0.74 | DRD2 (0.71) | FFAR1MAOAMAOBS1PR1S1PR3 | |
| SCHEMBL8392803 | 0.74 | FFAR1 (0.47) | MMP8MMP13MMP3MMP1CA12 | |
| SCHEMBL6820212 | 0.74 | MMP8 (0.60) | MMP8MMP13MMP3MMP1MMP2 |
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 |