Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13424144 | 0.91 | ESR1 (0.53) | ESR1ESR2PDCD1CD274MAPT | |
| Acetone SCHEMBL8119850 | 0.87 | STAT3 (0.42) | ACHEPOLBALDH1A1STAT3CNR1 | |
| SCHEMBL11641774 | 0.83 | CNR1 (0.54) | RAB9APOLBALDH1A1NPC1CNR1 | |
| SCHEMBL22959425 | 0.83 | ACHE (0.54) | ACHEESR1ESR2PDCD1CD274 | |
| SCHEMBL6754777 | 0.83 | CNR1 (0.51) | ESR1ESR2PDCD1CD274POLB | |
| SCHEMBL28227236 | 0.82 | NPC1 (0.43) | ACHEESR1ESR2RAB9AALDH1A1 | |
| SCHEMBL16807291 | 0.82 | ACHE (0.52) | ACHEALDH1A1STAT3LMNATDP1 | |
| SCHEMBL28229481 | 0.82 | THRB (0.52) | ESR1ESR2PDCD1CD274MAPT | |
| SCHEMBL16807292 | 0.82 | ALDH1A1 (0.52) | POLBALDH1A1STAT3CNR1CNR2 | |
| SCHEMBL28226395 | 0.82 | HDAC3 (0.50) | ESR1ESR2PDCD1CD274MAPT |
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-108191800-A | A kind of method that copper catalysis 2- alkynes phenol derivatives synthesizes benzo containing selenium [b] furan derivatives in water phase under microwave radiation | 福建医科大学 | 2018-06-22 | — | — | CN | disclosed |