Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL16782174 | 0.76 | GAA (0.46) | CA1CA2GAACTSKNFKB1 | |
| SCHEMBL4444774 | 0.74 | GAA (0.45) | CA1CA2GAACTSKNFKB1 | |
| SCHEMBL27686765 | 0.74 | GAA (0.45) | CA1CA2GAACTSKNFKB1 | |
| SCHEMBL1159171 | 0.73 | CA1 (0.71) | CA1CA2CTSKCYP2C9HSD11B1 | |
| SCHEMBL31334523 | 0.73 | CA1 (0.71) | CA1CA2CTSKCYP2C9HSD11B1 | |
| SCHEMBL1159172 | 0.73 | CA1 (0.71) | CA1CA2CTSKCYP2C9HSD11B1 | |
| SCHEMBL1587352 | 0.73 | CTSK (0.61) | CA1CA2CTSKCYP2C9HSD11B1 | |
| SCHEMBL12214165 | 0.73 | CTSK (0.61) | CA1CA2CTSKCYP2C9HSD11B1 | |
| SCHEMBL1649898 | 0.73 | CTSK (0.61) | CA1CA2CTSKCYP2C9HSD11B1 | |
| SCHEMBL7369118 | 0.72 | CA1 (0.66) | CA1CA2GAACTSKCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2799431-B1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2018-01-24 | — | — | EP | disclosed |