Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 5/20 | 0.62 |
| ▸ | BRD4 | O60885 | 3/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31679812 | 1.00 | THRB (0.64) | THRBTP53BRD4PKMGAA | |
| SCHEMBL31680036 | 0.87 | THRB (0.58) | THRBTP53BRD4PKMGAA | |
| SCHEMBL24876125 | 0.84 | MOGAT2 (0.58) | THRBTP53BRD4PKMGAA | |
| SCHEMBL24876741 | 0.83 | LMNA (0.76) | THRBPKMGAALMNAMAPT | |
| SCHEMBL24875967 | 0.82 | THRB (0.53) | THRBTP53PKMGAAMAPT | |
| SCHEMBL31679995 | 0.82 | THRB (0.53) | THRBTP53BRD4PKMGAA | |
| SCHEMBL31680001 | 0.82 | THRB (0.53) | THRBTP53PKMGAAMAPT | |
| SCHEMBL24876134 | 0.81 | THRB (0.52) | THRBTP53BRD4PKMGAA | |
| SCHEMBL23493889 | 0.78 | THRB (1.00) | THRBTP53BRD4PKMGAA | |
| SCHEMBL7529463 | 0.76 | TP53 (0.80) | TP53GAALMNAHTTNPSR1 |
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-2023280970-A1 | INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2023-01-12 | — | — | WO | disclosed |