Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 6/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6260796 | 0.77 | MMP13 (0.44) | FFAR1MMP13SLC22A8ACACBLOXL2 | |
| SCHEMBL6297941 | 0.73 | MMP13 (0.78) | MMP13SLC22A8 | |
| SCHEMBL6231783 | 0.69 | MMP13 (0.53) | MMP13LOXL2 | |
| SCHEMBL6254579 | 0.67 | MMP13 (0.40) | FFAR1MMP13SLC22A8ACACBLOXL2 | |
| SCHEMBL6450474 | 0.66 | MMP13 (0.36) | MMP13SLC22A8 | |
| SCHEMBL6296011 | 0.64 | MMP13 (0.69) | MMP13SLC22A8 | |
| SCHEMBL6842418 | 0.64 | FFAR1 (0.39) | FFAR1MMP13 | |
| SCHEMBL6250624 | 0.64 | MMP13 (0.38) | FFAR1MMP13ACACBLOXL2 | |
| SCHEMBL6233684 | 0.64 | MMP13 (0.49) | MMP13SLC22A8 | |
| SCHEMBL6231728 | 0.64 | MMP13 (0.49) | MMP13SLC22A8 |
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-1525030-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004007025-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |