Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL6260489 | 0.93 | MMP13 (0.42) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6256894 | 0.93 | MMP13 (0.42) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6254241 | 0.88 | MMP13 (0.42) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6261557 | 0.87 | MMP13 (0.41) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6276489 | 0.84 | MMP13 (0.42) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6254710 | 0.82 | ALDH1A1 (0.46) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6471017 | 0.82 | RXFP1 (0.42) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6732635 | 0.82 | HSD17B10 (0.44) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6733514 | 0.81 | MMP13 (0.45) | MMP13ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL6257988 | 0.81 | MMP13 (0.45) | MMP13ALDH1A1HSD17B10KDM4EMAPT |
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 |