Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL27224315 | 0.89 | ESR1 (0.44) | ESR1CYP1A2CYP2C9CYP2C19MCHR1 | |
| SCHEMBL1553685 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL1553131 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL1554055 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL1553655 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL1553128 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL1554235 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL11579460 | 0.87 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19MCHR1TLR8 | |
| SCHEMBL862599 | 0.85 | ESR1 (0.51) | ESR1MCHR1TLR8TSHRALDH1A1 | |
| SCHEMBL13475563 | 0.85 | ESR1 (0.51) | ESR1MCHR1TLR8TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2003104-B1 | REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT | JITSUBO CO LTD (JP) | 2015-07-01 | — | — | EP | disclosed |
| EP-2003104-A9 | REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT | National University Corporation Tokyo University of Agriculture and Technology (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-2003104-A2 | REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT | National University Corporation Tokyo University of Agriculture and Technology (JP) | 2008-12-17 | — | — | EP | disclosed |