Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 6/20 | 0.33 |
| ▸ | CA1 | P00915 | 6/20 | 0.33 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 6/20 | 0.33 |
| ▸ | CA7 | P43166 | 4/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720626 | 1.00 | TSHR (0.48) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL11047895 | 0.89 | TSHR (0.43) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL9720662 | 0.83 | TSHR (0.39) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL9720655 | 0.83 | TSHR (0.39) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL834672 | 0.82 | — | — | |
| SCHEMBL7185847 | 0.81 | TSHR (0.37) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL28510361 | 0.81 | TSHR (0.37) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL297916 | 0.81 | TSHR (0.59) | TSHRADRA1APDE4DHCAR2GAA | |
| SCHEMBL4210062 | 0.78 | — | — | |
| SCHEMBL27926059 | 0.78 | TSHR (0.56) | TSHRADRA1APDE4DHCAR2GAA |
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-5101067-A | Chemical intermediates for pyridinedicarboxylic acid esters, herbicides | WACKER-CHEMIE GMBH (DE) | 1992-03-31 | — | — | US | disclosed |
| US-5008392-A | Reacting 2,3-dihalomaleic acid esters with ammonia or salts, reacting product with alpha, B-unsaturated aldehydes or ketones | WACKER-CHEMIE GMBH (DE) | 1991-04-16 | — | — | US | disclosed |