Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20311845 | 0.94 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20312109 | 0.90 | MPI (0.34) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL20311577 | 0.88 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20311759 | 0.88 | ALDH1A1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20311574 | 0.87 | HSD17B1 (0.35) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL20311616 | 0.87 | L3MBTL1 (0.44) | ALDH1A1HPGDHSD17B10KDM4EKMT2A | |
| SCHEMBL20311760 | 0.86 | KDM4E (0.33) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL20311571 | 0.86 | HSD17B1 (0.34) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL20311588 | 0.85 | CYP1A2 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20312103 | 0.85 | CA12 (0.36) | CYP1A2ALDH1A1HPGDKDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3339293-B1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-08-11 | — | — | EP | disclosed |
| EP-3339293-A1 | COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-06-27 | — | — | EP | disclosed |