Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | F13A1 | P00488 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28064274 | 0.77 | MAOB (0.44) | CA9CA1CA2CES2CES1 | |
| SCHEMBL20868558 | 0.76 | IDO1 (0.48) | IDO1MMP2MMP9MMP14ADAM17 | |
| SCHEMBL21407665 | 0.73 | CA2 (0.53) | IDO1MMP2MMP9MMP14ADAM17 | |
| SCHEMBL27702475 | 0.72 | CA2 (0.59) | IDO1MMP2MMP9MMP1CA9 | |
| SCHEMBL28064177 | 0.72 | PSEN1 (0.43) | IDO1MMP2MMP9MMP1MMP12 | |
| SCHEMBL776942 | 0.69 | IDO1 (0.38) | IDO1MMP2MMP9MMP14ADAM17 | |
| SCHEMBL21407644 | 0.67 | CA1 (0.45) | IDO1MMP2MMP9MMP14ADAM17 | |
| SCHEMBL1791163 | 0.67 | IDO1 (0.52) | IDO1MMP2MMP9MMP14ADAM17 | |
| SCHEMBL3942239 | 0.66 | IDO1 (0.37) | IDO1MMP2MMP9MMP14ADAM17 | |
| SCHEMBL778663 | 0.65 | DAO (0.38) | IDO1MMP2MMP9MMP14ADAM17 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103748730-B | Nonaqueous electrolyte solution and electricity storage device using same | 宇部兴产株式会社 | 2016-06-08 | — | — | CN | disclosed |