Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 7/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 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 | |
|---|---|---|---|---|
| SCHEMBL28633012 | 1.00 | LCK (0.48) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL29891303 | 0.87 | LCK (0.48) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL28629962 | 0.87 | LCK (0.48) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL16290214 | 0.80 | MAPT (0.49) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL30367973 | 0.78 | ALDH1A1 (0.62) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL19857573 | 0.77 | LCK (0.50) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL6142913 | 0.75 | ADORA2A (0.49) | LCKALDH1A1ADORA2AADORA1KMT2A | |
| SCHEMBL21039188 | 0.75 | ALDH1A1 (0.51) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL29891436 | 0.75 | ALDH1A1 (0.51) | LCKALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL25649143 | 0.73 | NPC1 (0.59) | LCKALDH1A1KDM4EGAAADORA2A |
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-113248482-B | Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof | 中国药科大学 | 2022-08-26 | — | — | CN | disclosed |