Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6756984 | 0.85 | GSK3B (0.57) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL2298238 | 0.81 | MAPT (0.54) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL11510574 | 0.79 | GSK3B (0.71) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL27694664 | 0.78 | GSK3B (0.53) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL255269 | 0.78 | GSK3B (0.61) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL1763695 | 0.78 | GSK3B (0.61) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL255479 | 0.78 | GSK3B (0.61) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL23728052 | 0.77 | GSK3B (0.59) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL8024787 | 0.75 | GSK3B (0.67) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL4472065 | 0.75 | SMN1; SMN2 (0.58) | GSK3BCES1CA1CA2TDP1 |
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-3286200-B1 | CHEMICAL FLUORESCENT PROBES FOR DETECTING BIOFILMS | UNIV NANYANG TECH (SG) | 2020-03-04 | — | — | EP | disclosed |