Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3139052 | 0.78 | ALOX15 (0.48) | ARPGRESR2CYP3A4ESR1 | |
| SCHEMBL3320197 | 0.78 | CYP2A6 (0.43) | ARPGRESR2CYP3A4CYP2D6 | |
| SCHEMBL7388799 | 0.76 | PTGS2 (0.47) | ARESR2CYP3A4CYP2C19ESR1 | |
| SCHEMBL2474861 | 0.76 | ESR2 (0.63) | ARESR2ESR1 | |
| SCHEMBL29084993 | 0.73 | AR (0.47) | ARHSD17B1HSD17B2ESR2CYP3A4 | |
| SCHEMBL29084999 | 0.72 | AR (0.46) | ARHSD17B1HSD17B2ESR2CYP3A4 | |
| SCHEMBL20056706 | 0.71 | AR (0.51) | ARTLR8HSD17B1HSD17B2ESR2 | |
| SCHEMBL30536525 | 0.71 | ESR2 (0.48) | ARHSD17B1HSD17B2ESR2CYP3A4 | |
| SCHEMBL2786046 | 0.69 | AR (0.57) | ARHSD17B1HSD17B2ESR2ALDH1A1 | |
| SCHEMBL272034 | 0.69 | HSD17B1 (0.68) | ARHSD17B1HSD17B2ESR2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9067928-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2015-06-30 | — | — | US | disclosed |
| EP-2376085-B1 | COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2014-02-26 | — | — | EP | disclosed |
| US-8518970-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2013-08-27 | — | — | US | disclosed |