Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | GMNN | O75496 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL23400731 | 0.92 | MAPT (0.54) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23398709 | 0.92 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23400090 | 0.91 | CYP2C19 (0.47) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23400469 | 0.88 | ALDH1A1 (0.46) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23402678 | 0.88 | RPA1 (0.46) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23403416 | 0.88 | MAPT (0.51) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23401934 | 0.88 | SMN1; SMN2 (0.49) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23402988 | 0.85 | MAPT (0.47) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23403681 | 0.85 | CYP2C9 (0.47) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E | |
| SCHEMBL23403164 | 0.84 | KMT2A (0.62) | CYP2C9CYP2C19CYP3A4CYP1A2KDM4E |
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-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |