Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP14 | P50281 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044570 | 0.81 | CA12 (0.40) | ALDH1A1SMN1; SMN2MMP2CA12CA1 | |
| SCHEMBL4041124 | 0.79 | CA12 (0.37) | ALDH1A1SMN1; SMN2MMP2CA12CA1 | |
| SCHEMBL5669457 | 0.77 | BACE1 (0.40) | CTSDBACE1 | |
| SCHEMBL14157321 | 0.74 | MMP2 (0.38) | MMP1MMP9MMP14MMP2MMP3 | |
| SCHEMBL28208197 | 0.74 | MMP2 (0.38) | MMP1MMP9MMP14MMP2MMP3 | |
| SCHEMBL3365403 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MMP1MMP9MMP14SMN1; SMN2 | |
| SCHEMBL3834367 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MMP1MMP9MMP14SMN1; SMN2 | |
| SCHEMBL30499267 | 0.70 | MMP9 (0.41) | RENMMP1MMP9MMP14SMN1; SMN2 | |
| SCHEMBL13035821 | 0.69 | CA12 (0.61) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL251692 | 0.69 | ALDH1A1 (0.67) | ALDH1A1MMP9MMP2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4745230-B2 | — | — | 2011-08-10 | — | — | JP | claimed |
| JP-2008500265-A | — | — | 2008-01-10 | — | — | JP | claimed |
| EP-1646642-A2 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | claimed |
| WO-2005007681-A9 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | — | 2006-04-06 | — | — | WO | claimed |
| WO-2005007681-A2 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-01-27 | — | — | WO | claimed |
| WO-2005007681-A9 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | — | 2006-04-06 | — | — | WO | disclosed |