Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BRD2 | P25440 | 1/20 | 0.38 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30799987 | 1.00 | ENPP1 (0.42) | ENPP1KMT2AFYNMEN1KDM4E | |
| SCHEMBL29176284 | 0.82 | MAP3K11 (0.39) | KMT2AMEN1KDM4ELMNABRD4 | |
| SCHEMBL30800005 | 0.82 | MAP3K11 (0.39) | KMT2AMEN1KDM4ELMNABRD4 | |
| SCHEMBL2054916 | 0.75 | JAK2 (0.52) | ENPP1FYNBRD4CYP3A4CYP2C9 | |
| SCHEMBL7742336 | 0.72 | LMNA (0.57) | KMT2AMEN1KDM4ELMNA | |
| SCHEMBL7739342 | 0.70 | KDM4E (0.52) | KMT2AFYNMEN1KDM4E | |
| SCHEMBL7734550 | 0.69 | GRIN1 (0.50) | KMT2AMEN1KDM4E | |
| SCHEMBL7734611 | 0.69 | POLB (0.40) | KMT2AMEN1KDM4ELMNAPOLB | |
| SCHEMBL7739350 | 0.69 | KDM4E (0.43) | KMT2AFYNMEN1KDM4ELMNA | |
| SCHEMBL7740373 | 0.69 | KMT2A (0.43) | KMT2AFYNMEN1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111732584-B | Diaryl substituted fused heterocycle compound and preparation method and application thereof in pharmacy | 复旦大学 | 2024-02-27 | — | — | CN | disclosed |