Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL163203 | 0.84 | NQO1 (0.67) | NQO1TDP1TSHRCA12CA1 | |
| SCHEMBL9742978 | 0.83 | NQO1 (0.54) | NQO1AKR1C3AKR1C2TDP1TSHR | |
| SCHEMBL23865273 | 0.83 | NR5A1 (0.49) | TSHRCA12CA1CA4CA6 | |
| SCHEMBL21715140 | 0.82 | SLC6A2 (0.37) | TDP1CA12CYP1A2CA4CA9 | |
| SCHEMBL9710362 | 0.82 | NR5A1 (0.51) | TSHRL3MBTL1LTA4H | |
| SCHEMBL9710272 | 0.82 | NR5A1 (0.51) | TSHRL3MBTL1LTA4H | |
| SCHEMBL7329109 | 0.82 | NR5A1 (0.51) | TSHRL3MBTL1LTA4H | |
| SCHEMBL9710470 | 0.82 | NR5A1 (0.51) | TSHRL3MBTL1LTA4H | |
| SCHEMBL9710331 | 0.82 | NR5A1 (0.51) | TSHRL3MBTL1LTA4H | |
| SCHEMBL29629327 | 0.82 | NQO1 (0.68) | NQO1AKR1C3AKR1C2TDP1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9028977-B2 | Compound, method for preparing same and organic electronic device using same | LG CHEM, LTD. (KR) | 2015-05-12 | — | — | US | disclosed |
| US-3987116-A | ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF | WILLIAM H. RORER, INC. (US) | 1976-10-19 | — | — | US | disclosed |