Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 15/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 14/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | PELI1 | Q96FA3 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9297510 | 0.86 | ALOX5 (0.57) | HSD17B1PELI1ESR1ESR2CA12 | |
| SCHEMBL28502601 | 0.81 | ESR1 (0.48) | HSD17B1HSD17B2PELI1ESR1ESR2 | |
| SCHEMBL28485078 | 0.78 | ALOX5 (0.52) | HSD17B1HSD17B2ESR1ESR2ALDH1A1 | |
| SCHEMBL5859637 | 0.78 | HSD17B1 (0.54) | HSD17B1HSD17B2CYP3A4CYP2C9PELI1 | |
| SCHEMBL17754365 | 0.77 | PELI1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2C9PELI1 | |
| SCHEMBL28485937 | 0.76 | CALCRL (0.40) | CYP3A4CYP2C9ESR1ESR2CYP2D6 | |
| SCHEMBL9124966 | 0.76 | CNR1 (0.43) | CYP3A4ESR1ESR2CYP1A2ALDH1A1 | |
| SCHEMBL11414354 | 0.76 | ALOX5 (0.50) | HSD17B1HSD17B2CYP2C9PELI1ESR1 | |
| SCHEMBL38660243 | 0.75 | HSD17B1 (0.67) | HSD17B1HSD17B2CYP3A4CYP2C9PELI1 | |
| SCHEMBL726663 | 0.74 | MEN1 (0.39) | HSD17B1HSD17B2ESR1ESR2ALDH1A1 |
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-5578697-A | DIELECTRIC POLYMERS FOR ELECTRONICS | KABUSHIKI KAISHA TOSHIBA (JP) | 1996-11-26 | — | — | US | disclosed |