Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MERTK | Q12866 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31327409 | 0.81 | POLB (0.53) | PTGS2NPSR1RAB9AATMHPGD | |
| SCHEMBL31340009 | 0.80 | SCD (0.41) | PTGS2GAARPS6KB1APP | |
| SCHEMBL21164017 | 0.76 | ROCK1 (0.45) | PLK1NPSR1RAB9ARPS6KB1ATM | |
| SCHEMBL29808756 | 0.76 | ROCK1 (0.45) | PLK1NPSR1RAB9ARPS6KB1ATM | |
| SCHEMBL5416820 | 0.73 | AURKA (0.54) | NPSR1RAB9AATM | |
| SCHEMBL13425775 | 0.73 | GPR84 (0.38) | PTGS2PLK1GPR84RAB9AADORA1 | |
| SCHEMBL8089927 | 0.72 | SYK (0.54) | ABL1AXL | |
| SCHEMBL18448734 | 0.71 | MAPK1 (0.48) | NPSR1RAB9AHPGDAPP | |
| SCHEMBL21121007 | 0.71 | KMT2A (0.47) | RAB9AMAPK14HPGDADORA2AADORA1 | |
| SCHEMBL8076723 | 0.71 | ACHE (0.42) | GAANPSR1RAB9AHPGD |
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-118994031-A | Novel pyrimidine biphenyl derivative with anti-tumor activity and preparation method and application thereof | 吉林大学 | 2024-11-22 | — | — | CN | disclosed |