Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176233 | 0.92 | POLB (0.55) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL11176229 | 0.92 | POLB (0.55) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL11170133 | 0.87 | POLB (0.51) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL11170141 | 0.87 | POLB (0.51) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL9473749 | 0.81 | POLB (0.65) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL8331347 | 0.81 | POLB (0.49) | POLBLMNAKMT2ATP53MDM2 | |
| SCHEMBL9472221 | 0.80 | POLB (0.66) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL24804649 | 0.80 | LMNA (0.52) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL29865166 | 0.80 | LMNA (0.52) | POLBLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL9332856 | 0.80 | LMNA (0.52) | POLBLMNAKMT2AALDH1A1CYP2D6 |
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-3289078-B1 | CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS AUTOLYSIN E, METHOD OF PRODUCING THE CRYSTAL AND ITS USE IN SCREENING METHODS | J STEFAN INST (SI) | 2020-11-04 | — | — | EP | disclosed |