Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19508986 | 1.00 | GAA (0.39) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL22233303 | 0.85 | EPHX1 (0.40) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL22233304 | 0.85 | EPHX1 (0.40) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL21580368 | 0.81 | BTK (0.49) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL15632420 | 0.79 | BTK (0.39) | BTKCTSKCA1CA2KMT2A | |
| SCHEMBL746168 | 0.78 | BTK (0.54) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL746169 | 0.78 | BTK (0.54) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL1204562 | 0.78 | BTK (0.54) | GAAEPHX2EPHX1BTKKDM1A | |
| SCHEMBL15489159 | 0.78 | BTK (0.35) | GAAEPHX1BTKKDM1AMAOB | |
| SCHEMBL9611663 | 0.78 | BTK (0.35) | GAAEPHX1BTKKDM1AMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016186581-A1 | ANTIMICROBIAL GUANIDINIUM AND THIOURONIUM FUNCTIONALIZED POLYMERS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-11-24 | — | — | WO | disclosed |