Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 10/20 | 0.49 |
| ▸ | MMP3 | P08254 | 7/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | KDM4A | O75164 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 2/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6774949 | 0.84 | LPAR1 (0.44) | GRIK1PTGESALOX5PPARG | |
| SCHEMBL1026190 | 0.83 | GRIK1 (0.64) | GRIK1MMP2MMP3MMP1MMP9 | |
| SCHEMBL6283212 | 0.83 | KCNH2 (0.48) | EPHX2KDM4A | |
| SCHEMBL1856639 | 0.83 | GRIK1 (0.72) | GRIK1MMP2MMP3MMP1MMP9 | |
| SCHEMBL1861360 | 0.82 | GRIK1 (0.62) | GRIK1MMP2MMP3MMP1MMP9 | |
| SCHEMBL1131425 | 0.82 | GRIK1 (0.62) | GRIK1MMP2MMP3MMP1MMP9 | |
| SCHEMBL8904064 | 0.80 | GRIK1 (0.60) | GRIK1MMP2MMP3MMP1MMP9 | |
| SCHEMBL1860416 | 0.80 | GRIK1 (0.68) | GRIK1MMP2MMP3MMP1MMP9 | |
| SCHEMBL4993935 | 0.79 | GABBR2 (0.49) | — | |
| SCHEMBL28807882 | 0.79 | GRIK1 (0.59) | GRIK1MMP2MMP3MMP1MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6818643-B1 | 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-16 | — | — | US | disclosed |
| WO-2001042245-A1 | NEUROTROPHIC BICYCLIC DIAMIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |