Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1513631 | 0.84 | ESR2 (0.52) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL2860153 | 0.84 | ESR2 (0.52) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL27493715 | 0.81 | ESR2 (0.48) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL27734232 | 0.78 | ESR2 (0.53) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL29836013 | 0.76 | ESR2 (0.52) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL28723968 | 0.76 | ESR2 (0.52) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL5835181 | 0.76 | ESR2 (0.52) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL790518 | 0.74 | ESR2 (0.50) | ESR2BACE1ALOX5PTGS1PTGS2 | |
| SCHEMBL172874 | 0.74 | CA1 (0.54) | ESR2BACE1ALOX5PTGS1TTR | |
| SCHEMBL31028131 | 0.74 | CA1 (0.54) | ESR2BACE1ALOX5PTGS1TTR |
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-115028642-B | Diaryl dihydrofuro [3,4-d ] pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2024-07-12 | — | — | CN | disclosed |