Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.54 |
| ▸ | TNKS | O95271 | 10/20 | 0.54 |
| ▸ | TNKS2 | Q9H2K2 | 10/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30289865 | 0.85 | PARP1 (0.54) | PARP1TNKSTNKS2KDM4ECYP1A2 | |
| SCHEMBL30289798 | 0.82 | MAPT (0.45) | PARP1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL30289854 | 0.79 | KDM4E (0.71) | PARP1TNKSTNKS2KDM4EMEN1 | |
| SCHEMBL30289841 | 0.77 | MAPT (0.40) | KDM4EMEN1MAPTKMT2ATAAR1 | |
| SCHEMBL30289914 | 0.74 | PARP1 (0.56) | PARP1TNKSTNKS2KDM4EMEN1 | |
| SCHEMBL30289811 | 0.73 | MAPT (0.40) | PARP1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL30289900 | 0.73 | LCK (0.43) | PARP1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL30289960 | 0.71 | MAPT (0.47) | KDM4EMEN1MAPTKMT2ATAAR1 | |
| SCHEMBL30289911 | 0.71 | POLA1 (0.41) | PARP1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL167751 | 0.70 | TNKS (1.00) | PARP1TNKSTNKS2KDM4ECYP1A2 |
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-2023054759-A1 | 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME | 한국화학연구원 | 2023-04-06 | — | — | WO | disclosed |