Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 4/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22437161 | 0.91 | CYP2D6 (0.40) | CYP2D6CYP1A2CYP2C19HTR1DTAAR1 | |
| SCHEMBL25574426 | 0.90 | ESR1 (0.40) | CYP2D6CYP1A2CYP2C19HTR1DTAAR1 | |
| SCHEMBL21449928 | 0.86 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C19HTR1DTAAR1 | |
| SCHEMBL23673817 | 0.84 | ESR1 (0.39) | CYP2D6CYP1A2CYP2C19HTR1DALDH1A1 | |
| SCHEMBL11402245 | 0.84 | RXRA (0.42) | CYP2D6CYP1A2CYP2C19HTR1DALDH1A1 | |
| SCHEMBL8014794 | 0.84 | CYP2D6 (0.35) | CYP2D6CYP1A2CYP2C19HTR1DTAAR1 | |
| SCHEMBL9155665 | 0.84 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP2C19HTR1DTAAR1 | |
| SCHEMBL18854449 | 0.83 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C19HTR1DTSHR | |
| SCHEMBL29335336 | 0.81 | KIF11 (0.47) | CYP2D6CYP1A2CYP2C19HTR1DTSHR | |
| SCHEMBL8008579 | 0.80 | CYP2D6 (0.37) | CYP2D6CYP1A2CYP2C19HTR1DTAAR1 |
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-20190338119-A1 | RESIN COMPOSITION FOR BONDING METAL, PRODUCTION FORMED BY BONDING METAL WITH RESIN COMPOSITION, AND MANUFACTURING METHOD THEREOF | TORAY INDUSTRIES INC. (JP) | 2019-11-07 | — | — | US | disclosed |