Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP15 | Q460N3 | 5/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 5/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8141804 | 0.81 | PARP1 (0.40) | PARP15TNKS2PARP10PARP2PARP14 | |
| SCHEMBL2987031 | 0.74 | PARP15 (0.41) | PARP15TNKS2PARP10PARP2PARP14 | |
| SCHEMBL6674168 | 0.70 | PARP15 (0.41) | PARP15TNKS2PARP10PARP2PARP14 | |
| SCHEMBL29860930 | 0.67 | CYP1A2 (0.38) | ALDH1A1KDM4EGAAHTTNPSR1 | |
| SCHEMBL6670689 | 0.67 | ALDH1A1 (0.40) | PARP15TNKS2PARP10PARP2ALDH1A1 | |
| SCHEMBL19994153 | 0.64 | ERCC1 (0.36) | PARP15TNKS2PARP10PARP2PARP1 | |
| SCHEMBL10296643 | 0.64 | DAO (0.51) | KMT2AMEN1POLB | |
| SCHEMBL31257840 | 0.63 | TNKS2 (0.45) | PARP15TNKS2PARP2PARP1TNKS | |
| SCHEMBL27625946 | 0.62 | TYMP (0.55) | KMT2AMEN1 | |
| SCHEMBL27625945 | 0.62 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EGAAHTTKMT2A |
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-1536786-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004006913-A1 | COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |