Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.62 |
| ▸ | MMP2 | P08253 | 2/20 | 0.58 |
| ▸ | MMP7 | P09237 | 2/20 | 0.58 |
| ▸ | MMP14 | P50281 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | MMP3 | P08254 | 3/20 | 0.51 |
| ▸ | MMP13 | P45452 | 3/20 | 0.51 |
| ▸ | MMP1 | P03956 | 3/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | LOX | P28300 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL7207184 | 0.88 | CA2 (0.66) | CA2HDAC1HDAC2MMP3MMP13 | |
| SCHEMBL3917294 | 0.82 | CA2 (0.67) | CA2HDAC1HDAC2MMP3MMP13 | |
| SCHEMBL7212095 | 0.81 | MMP13 (0.68) | CA2MMP2MMP7MMP14HDAC1 | |
| SCHEMBL2704194 | 0.81 | HDAC1 (0.56) | CA2MMP2MMP7MMP14HDAC1 | |
| SCHEMBL7298810 | 0.81 | CA2 (0.65) | CA2HDAC1HDAC2MMP3MMP13 | |
| SCHEMBL7295500 | 0.81 | CA2 (0.65) | CA2HDAC1HDAC2MMP3MMP13 | |
| SCHEMBL1007970 | 0.81 | CA2 (0.65) | CA2HDAC1HDAC2MMP3MMP13 | |
| SCHEMBL7212133 | 0.81 | MMP1 (0.71) | CA2MMP2MMP7MMP14MMP3 | |
| SCHEMBL7208410 | 0.81 | MMP13 (0.71) | CA2MMP2HDAC1HDAC2MMP3 | |
| SCHEMBL1243273 | 0.80 | HDAC1 (0.58) | MMP2MMP7MMP14HDAC1HDAC2 |
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 2 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 |