Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16533021 | 0.83 | CYP2A6 (0.46) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL14960837 | 0.83 | PGR (0.45) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL10205948 | 0.81 | ESR1 (0.66) | HSD17B1HSD17B2ESR1ESR2KDM4E | |
| SCHEMBL1821918 | 0.81 | CYP2A6 (0.60) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL13082012 | 0.80 | CYP2A6 (0.43) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL9487879 | 0.79 | CYP2A6 (0.40) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL18027618 | 0.79 | CYP2A6 (0.42) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL15441589 | 0.79 | ESR1 (0.43) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL14960840 | 0.76 | HSD17B1 (0.38) | HSD17B1HSD17B2ESR1ESR2CYP2A6 | |
| SCHEMBL14960839 | 0.76 | HSD17B1 (0.43) | HSD17B1HSD17B2ESR1ESR2KDM4E |
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-20130125987-A1 | PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR BATTERY CONTAINING THE SAME | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2013-05-23 | — | — | US | disclosed |