Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4916335 | 1.00 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL30447310 | 1.00 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL30446927 | 0.88 | ALDH1A1 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL168479 | 0.82 | ALDH1A1 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29364651 | 0.82 | ALDH1A1 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL31298085 | 0.82 | ALDH1A1 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4867555 | 0.82 | CES1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4847644 | 0.82 | ALDH1A1 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4852538 | 0.82 | CYP1A2 (0.60) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5008737 | 0.81 | ALDH1A1 (0.54) | 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 |
|---|---|---|---|---|---|---|---|
| CN-114671729-A | Preparation method of aromatic ethylamine and derivatives thereof | 南京大学 | 2022-06-28 | — | — | CN | disclosed |