Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29099899 | 1.00 | AURKB (0.36) | AURKBMAPK8MAPTRXFP1KDM4E | |
| SCHEMBL29099879 | 0.89 | TLR8 (0.42) | AURKBMAPK8MAPTKDM4EALDH1A1 | |
| SCHEMBL29099894 | 0.81 | FLT3 (0.39) | MAPTRXFP1KDM4ETP53NPSR1 | |
| SCHEMBL29099891 | 0.81 | FLT3 (0.39) | MAPTRXFP1KDM4ETP53NPSR1 | |
| SCHEMBL29093590 | 0.81 | TLR8 (0.48) | AURKBMAPK8SMN1; SMN2TLR8LMNA | |
| SCHEMBL29093593 | 0.81 | TLR8 (0.48) | AURKBMAPK8SMN1; SMN2TLR8LMNA | |
| SCHEMBL30623096 | 0.76 | — | — | |
| SCHEMBL19924208 | 0.73 | TLR8 (0.41) | TLR8 | |
| SCHEMBL30076142 | 0.73 | TLR8 (0.41) | TLR8 | |
| SCHEMBL19924206 | 0.73 | TLR8 (0.41) | TLR8 |
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-116969934-A | Pyrimido aromatic ring compounds and application thereof in medicines | 广东东阳光药业股份有限公司 | 2023-10-31 | — | — | CN | disclosed |