Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13488263 | 0.85 | CYP2A6 (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL13304280 | 0.83 | GPR84 (0.34) | ALDH1A1HSD17B10CYP1B1HIF1AALOX5 | |
| SCHEMBL13158630 | 0.83 | ESR1 (0.33) | GPR84ESR1ESR2CYP1A2ACHE | |
| SCHEMBL13706126 | 0.83 | HSD17B1 (0.38) | ALDH1A1HSD17B10CYP1B1HIF1AALOX5 | |
| SCHEMBL13488270 | 0.82 | GPR84 (0.35) | SOS1GPR84MAOA | |
| SCHEMBL12873466 | 0.82 | GPR84 (0.35) | ALDH1A1HSD17B10CYP1B1HIF1AALOX5 | |
| SCHEMBL13304285 | 0.80 | GPR84 (0.32) | ALDH1A1HSD17B10CYP1B1ALOX5GPR84 | |
| SCHEMBL13488271 | 0.80 | MAOA (0.33) | SOS1CYP2A6GPR84CYP1A2MAOA | |
| SCHEMBL13706270 | 0.80 | KDM4E (0.34) | ALDH1A1SOS1GPR84HPGDMAPT | |
| SCHEMBL13706271 | 0.79 | ESR1 (0.35) | ALDH1A1ALOX5GPR84ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010114256-A2 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) | 2010-10-07 | — | — | WO | disclosed |