Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 3/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | BRD2 | P25440 | 1/20 | 0.45 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24876266 | 0.84 | CDK1 (0.48) | LMNAALDH1A1SMN1; SMN2HPGDTHRB | |
| SCHEMBL31679961 | 0.83 | THRB (0.70) | LMNAALDH1A1SMN1; SMN2HPGDTHRB | |
| SCHEMBL24876270 | 0.79 | TSHR (0.48) | LMNAALDH1A1SMN1; SMN2HPGDIDH1 | |
| SCHEMBL24876629 | 0.78 | HSD17B2 (0.43) | LMNATHRBIDH1PKMCDK1 | |
| SCHEMBL3376228 | 0.78 | EPHX2 (0.55) | LMNAHPGDPLAUCYP19A1TP53 | |
| SCHEMBL24876762 | 0.78 | LMNA (0.44) | LMNATHRBPKMCDK1CCNB1 | |
| SCHEMBL31679941 | 0.77 | THRB (0.64) | LMNAALDH1A1SMN1; SMN2HPGDTHRB | |
| SCHEMBL10576667 | 0.75 | ALDH1A1 (0.55) | LMNAALDH1A1SMN1; SMN2HPGDTHRB | |
| SCHEMBL24876673 | 0.74 | THRB (0.70) | LMNATHRBIDH1PKMMAPT | |
| SCHEMBL24876669 | 0.74 | LMNA (0.43) | LMNAALDH1A1SMN1; SMN2HPGDTHRB |
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 |