Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16637307 | 0.85 | HSD17B10 (0.52) | TSHRHSD17B10SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL6237218 | 0.82 | TSHR (0.42) | TSHRHSD17B10SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL6513715 | 0.79 | ALDH1A1 (0.50) | TSHRHSD17B10SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7018700 | 0.79 | SMN1; SMN2 (0.46) | HSD17B10SMN1; SMN2ALDH1A1GAAADORA2B | |
| SCHEMBL6258644 | 0.78 | MMP13 (0.54) | TSHRSMN1; SMN2ALDH1A1GAAMAPK1 | |
| SCHEMBL7025417 | 0.78 | ADORA2B (0.40) | TSHRHSD17B10SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7021004 | 0.77 | L3MBTL1 (0.46) | HSD17B10SMN1; SMN2ALDH1A1GAAACACB | |
| SCHEMBL6236551 | 0.76 | ADORA2B (0.39) | HSD17B10SMN1; SMN2ALDH1A1GAAACACB | |
| SCHEMBL6907518 | 0.76 | MMP13 (0.43) | TSHRHSD17B10SMN1; SMN2ALDH1A1ADORA2B | |
| SCHEMBL6728059 | 0.76 | MMP13 (0.42) | TSHRHSD17B10SMN1; SMN2ALDH1A1GAA |
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-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |