Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL24876203 | 0.86 | GRIN2D (0.39) | THRBTDP2CDK2ARKDM4E | |
| SCHEMBL24876267 | 0.82 | KDM4E (0.37) | KDM4EMEN1HPGDKMT2AGAA | |
| SCHEMBL31679998 | 0.81 | THRB (0.59) | THRBMEN1KMT2AGAAPKM | |
| SCHEMBL31679966 | 0.67 | THRB (0.62) | THRBMEN1KMT2AGAAPKM | |
| SCHEMBL31679823 | 0.67 | THRB (0.73) | THRBMEN1HPGDKMT2AGAA | |
| SCHEMBL24876065 | 0.67 | THRB (0.73) | THRBMEN1HPGDKMT2AGAA | |
| SCHEMBL31680033 | 0.66 | LMNA (0.54) | THRBMEN1KMT2AGAAPKM | |
| SCHEMBL24876225 | 0.66 | LMNA (0.54) | THRBMEN1KMT2AGAAPKM | |
| SCHEMBL24876643 | 0.66 | THRB (0.60) | THRBMEN1KMT2AGAAPKM | |
| SCHEMBL31680013 | 0.66 | THRB (0.60) | THRBMEN1KMT2AGAAPKM |
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 |