Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23893289 | 0.79 | CYP2D6 (0.51) | TSHRALDH1A1APPIDO1CYP1A2 | |
| SCHEMBL23893357 | 0.72 | ALDH1A1 (0.43) | TSHRALDH1A1RAPGEF4IDO1TAAR1 | |
| SCHEMBL23265420 | 0.72 | ALDH1A1 (0.52) | TSHRALDH1A1CYP3A4 | |
| SCHEMBL5608826 | 0.72 | HTT (0.53) | TSHRALDH1A1GAAL3MBTL1CYP1A2 | |
| SCHEMBL14192224 | 0.71 | KDM4E (0.45) | ALDH1A1RPS6KB1GAAAPPL3MBTL1 | |
| SCHEMBL5846001 | 0.70 | RAPGEF4 (0.48) | ALDH1A1RAPGEF4RPS6KB1GAAL3MBTL1 | |
| SCHEMBL7339711 | 0.69 | HTT (0.55) | ALDH1A1RAPGEF4GAAL3MBTL1CYP1A2 | |
| SCHEMBL28259271 | 0.68 | MEN1 (0.55) | ALDH1A1GAAL3MBTL1HPGDALOX15 | |
| SCHEMBL28968829 | 0.68 | SCN8A (0.50) | TSHRALDH1A1HPGDTDP1POLB | |
| SCHEMBL28606837 | 0.67 | HTT (0.62) | CYP1A2CYP3A4CYP2C19CYP2C9POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3770166-B1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO LTD (KR) | 2021-10-06 | — | — | EP | disclosed |