Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7159780 | 0.94 | CASP1 (0.43) | CASP1NPY5RTYMSIDO1TDO2 | |
| SCHEMBL7374585 | 0.90 | MMP2 (0.44) | CASP1HSD17B10ALOX15MAPK1HTT | |
| SCHEMBL7475931 | 0.87 | ALOX15 (0.42) | HSD17B10ALOX15MAPK1HTTL3MBTL1 | |
| SCHEMBL7364535 | 0.87 | ALOX15 (0.41) | HSD17B10ALOX15MAPK1HTTL3MBTL1 | |
| SCHEMBL7474783 | 0.86 | ITGB3 (0.44) | HSD17B10ALOX15MAPK1HTTL3MBTL1 | |
| SCHEMBL7479990 | 0.86 | HSD17B10 (0.40) | HSD17B10ALOX15MAPK1HTTL3MBTL1 | |
| SCHEMBL7364118 | 0.85 | ALOX15 (0.43) | HSD17B10ALOX15MAPK1HTTL3MBTL1 | |
| SCHEMBL7164959 | 0.83 | MMP2 (0.51) | CASP1IDO1TDO2MMP2MMP9 | |
| SCHEMBL7469657 | 0.83 | MAPT (0.44) | HSD17B10ALOX15MAPK1HTTL3MBTL1 | |
| SCHEMBL7163795 | 0.83 | F10 (0.41) | NPY5RTYMSF10PLAUPLG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0964856-B1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 2002-10-09 | — | — | EP | disclosed |
| EP-0964856-A1 | BICYCLIC AMINO ACIDS | MERCK PATENT GmbH (DE) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998035949-A1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 1998-08-20 | — | — | WO | disclosed |