Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 9/20 | 0.56 |
| ▸ | VCP | P55072 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL25607528 | 1.00 | FBP1 (0.56) | FBP1VCPHTR2AKCNH2MAOA | |
| SCHEMBL1026442 | 0.74 | FBP1 (0.60) | FBP1VCPTLR4TLR2NFE2L2 | |
| SCHEMBL1026443 | 0.74 | FBP1 (0.60) | FBP1VCPTLR4TLR2NFE2L2 | |
| SCHEMBL1977275 | 0.73 | FBP1 (0.45) | FBP1HTR2AKCNH2NFE2L2EGFR | |
| SCHEMBL102629 | 0.72 | FBP1 (1.00) | FBP1VCPTLR4TLR2EGFR | |
| SCHEMBL102630 | 0.72 | FBP1 (1.00) | FBP1VCPTLR4TLR2EGFR | |
| SCHEMBL108007 | 0.71 | — | — | |
| SCHEMBL510296 | 0.71 | TLR4 (0.56) | FBP1MAOAMAOBTLR4TLR2 | |
| SCHEMBL1106865 | 0.71 | TLR4 (0.56) | FBP1MAOAMAOBTLR4TLR2 | |
| SCHEMBL459462 | 0.69 | NPC1 (0.58) | FBP1VCPTLR4TLR2NFE2L2 |
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-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |