Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29756488 | 0.87 | CYP1A2 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16177320 | 0.87 | CYP1A2 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL23109412 | 0.85 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2961222 | 0.81 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL261910 | 0.81 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29357128 | 0.81 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL23109409 | 0.80 | CYP1A2 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL359994 | 0.79 | ALDH1A1 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28840215 | 0.79 | ALDH1A1 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29789609 | 0.79 | ALDH1A1 (0.50) | CYP1A2ERBB2FYNMAOAACHE |
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-3294727-B1 | ORGANIC LIGHT-EMITTING DIODE COMPRISING DIFFERENT MATRIX COMPOUNDS IN THE FIRST AND SECOND ELECTRON TRANSPORT LAYER | NOVALED GMBH (DE) | 2021-08-04 | — | — | EP | claimed |