Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL20733779 | 0.98 | CYP1A2 (0.48) | CYP1A2KIF11CYP11B2MMP3ALDH1A1 | |
| SCHEMBL30451858 | 0.87 | TSHR (0.52) | KIF11CYP11B2MMP3ALDH1A1CYP2A6 | |
| SCHEMBL18322222 | 0.87 | TSHR (0.52) | KIF11CYP11B2MMP3ALDH1A1CYP2A6 | |
| SCHEMBL22049794 | 0.85 | ALDH1A1 (0.61) | KIF11CYP11B2MMP3ALDH1A1CYP2A6 | |
| SCHEMBL23625541 | 0.82 | CYP11B1 (0.56) | CYP1A2CYP11B2SLC22A12 | |
| SCHEMBL30708993 | 0.80 | MAOA (0.48) | CYP1A2KIF11CYP11B2MMP3TSHR | |
| SCHEMBL26492407 | 0.80 | GABRA1 (0.49) | KIF11CYP11B2MMP3TSHRATM | |
| SCHEMBL23655191 | 0.79 | AR (0.49) | KIF11CYP11B2MMP3ALDH1A1CYP2A6 | |
| SCHEMBL23625538 | 0.79 | ADRA2C (0.48) | CYP1A2ALDH1A1TSHRPDK2MEN1 | |
| SCHEMBL25708857 | 0.79 | KIF11 (0.73) | KIF11CYP11B2MMP3TSHRPDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019182402-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2019-09-26 | — | — | WO | disclosed |
| WO-2019182400-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2019-09-26 | — | — | WO | disclosed |