Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 9/20 | 0.52 |
| ▸ | MMP1 | P03956 | 7/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 4/20 | 0.46 |
| ▸ | MMP7 | P09237 | 2/20 | 0.46 |
| ▸ | MMP12 | P39900 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7212265 | 0.87 | MMP13 (0.62) | MMP13MMP1HTTNPSR1MEN1 | |
| SCHEMBL7208396 | 0.85 | MMP13 (0.49) | MMP13MMP1HTTNPSR1MEN1 | |
| SCHEMBL7869955 | 0.84 | MMP13 (0.60) | MMP13MMP1HTTNPSR1MEN1 | |
| SCHEMBL7207610 | 0.81 | MMP13 (0.56) | MMP13MMP1HTTNPSR1MEN1 | |
| SCHEMBL7181926 | 0.79 | MMP13 (0.75) | MMP13MMP1MMP8MMP7MMP12 | |
| SCHEMBL14370510 | 0.79 | ACACB (0.58) | HTTALDH1A1CYP3A4 | |
| SCHEMBL4356408 | 0.79 | ACACB (0.58) | HTTALDH1A1CYP3A4 | |
| SCHEMBL7207772 | 0.78 | MMP13 (0.71) | MMP13MMP1HTTNPSR1MEN1 | |
| SCHEMBL7207774 | 0.78 | MMP13 (0.71) | MMP13MMP1HTTNPSR1MEN1 | |
| SCHEMBL7212056 | 0.78 | MMP13 (0.71) | MMP13MMP1HTTNPSR1MEN1 |
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 |