Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.63 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.63 |
| ▸ | APP | P05067 | 7/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.43 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.43 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9968693 | 0.88 | APP (0.55) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL12575567 | 0.85 | APP (0.52) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL12973225 | 0.82 | APP (0.77) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL14179953 | 0.82 | HSD17B1 (0.54) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL12918733 | 0.79 | CYP1A1 (0.48) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL10154028 | 0.79 | HSD17B1 (0.50) | HSD17B1HSD17B2APPCYP3A4CYP2D6 | |
| SCHEMBL6015219 | 0.79 | RXFP1 (0.53) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL12307014 | 0.79 | APP (0.46) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL1180575 | 0.78 | HSD17B1 (1.00) | HSD17B1HSD17B2APPESR1ESR2 | |
| SCHEMBL10016215 | 0.77 | APP (0.45) | HSD17B1HSD17B2APPESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070009760-A1 | Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device | INOUE TETSUYA | 2007-01-11 | — | — | US | disclosed |