Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL2816321 | 1.00 | CYP2A6 (0.58) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL3240223 | 0.95 | CYP2A6 (0.52) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL7913527 | 0.86 | MAPT (0.48) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL476842 | 0.81 | CYP2A6 (0.61) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL29520686 | 0.81 | CYP2A6 (0.61) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL28321692 | 0.81 | KMT2A (0.47) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL1310983 | 0.79 | CYP2A6 (0.58) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL6036927 | 0.79 | CYP2A6 (0.58) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL9617601 | 0.79 | CYP2A6 (0.48) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL8476508 | 0.79 | CYP2A6 (0.58) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 |
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-116116205-A | Method for retarding generation of chloro-and bromo-polycyclic aromatic hydrocarbon by polycyclic aromatic hydrocarbon precursor | 国科大杭州高等研究院 | 2023-05-16 | — | — | CN | disclosed |
| CN-111302961-B | Method for synthesizing N-aryl/alkyl anthraquinone and derivatives thereof under catalysis of carbene metal ligand | 中国科学院兰州化学物理研究所 | 2022-06-14 | — | — | CN | disclosed |