Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18786351 | 0.94 | TAAR1 (0.37) | CYP1A2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL18731829 | 0.91 | GAA (0.41) | GAAHTTNPSR1ALDH1A1MEN1 | |
| SCHEMBL18787216 | 0.90 | TAAR1 (0.38) | CYP1A2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL18731711 | 0.89 | CYP1A2 (0.38) | CYP1A2GAAHTTNPSR1NR4A1 | |
| SCHEMBL18786340 | 0.84 | GAA (0.39) | CYP1A2GAAHTTALDH1A1MEN1 | |
| SCHEMBL18731724 | 0.83 | MAPT (0.40) | CYP1A2GAANR4A1ALDH1A1MEN1 | |
| SCHEMBL20733760 | 0.83 | ALDH1A1 (0.37) | CYP1A2HTR2CGAAALDH1A1MEN1 | |
| SCHEMBL17725990 | 0.82 | KDM4E (0.33) | CYP1A2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL18562487 | 0.82 | ALDH1A1 (0.40) | CYP1A2GAAHTTALDH1A1MEN1 | |
| SCHEMBL23511600 | 0.81 | PTPN1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017069443-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2017-04-27 | — | — | WO | disclosed |