Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | FYN | P06241 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL308801 | 0.91 | CYP1A2 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL31266564 | 0.91 | CYP1A2 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL8197289 | 0.88 | CYP1A2 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2815890 | 0.87 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL11659298 | 0.87 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2122425 | 0.84 | ALDH1A1 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5379623 | 0.84 | CYP1A2 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL31197160 | 0.83 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3469400 | 0.83 | CYP1A2 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL557720 | 0.83 | CYP1A2 (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112961025-A | Synthesis method, derivation method and derivatives of non-benzene polycyclic aromatic hydrocarbon APD | 南开大学 | 2021-06-15 | — | — | CN | claimed |
| CN-112961025-A | Synthesis method, derivation method and derivatives of non-benzene polycyclic aromatic hydrocarbon APD | 南开大学 | 2021-06-15 | — | — | CN | disclosed |