Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | UBE2I | P63279 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1538564 | 0.83 | BACE1 (0.48) | CYP1A2CYP2A6BACE1MAOATDP1 | |
| SCHEMBL28532690 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL7834790 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2A6BACE1TDP1ALDH1A1 | |
| SCHEMBL7822719 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP2A6TDP1KIF11ALDH1A1 | |
| SCHEMBL9038677 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP2A6MAOATDP1HPRT1 | |
| SCHEMBL12433466 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2A6TDP1KIF11ALDH1A1 | |
| SCHEMBL30540087 | 0.73 | CYP2A6 (0.65) | CYP1A2CYP2A6MAOATDP1HPRT1 | |
| SCHEMBL216959 | 0.73 | CYP2A6 (0.65) | CYP1A2CYP2A6MAOATDP1HPRT1 | |
| SCHEMBL7837604 | 0.73 | CYP2A6 (0.57) | CYP1A2CYP2A6MAOATDP1KIF11 | |
| SCHEMBL8840916 | 0.72 | KIF11 (0.54) | CYP1A2CYP2A6MAOATDP1HPRT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112441875-B | Method for copper photocatalytic synthesis of 9-trifluoromethyl-9, 10-dihydrophenanthrene compound | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-112441874-B | Method for synthesizing 9-trifluoromethyl-9, 10-dihydrophenanthrene compound by virtue of iridium photocatalysis | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-112441874-A | Method for synthesizing 9-trifluoromethyl-9, 10-dihydrophenanthrene compound by virtue of iridium photocatalysis | 浙江工业大学 | 2021-03-05 | — | — | CN | disclosed |
| CN-112441875-A | Method for copper photocatalytic synthesis of 9-trifluoromethyl-9, 10-dihydrophenanthrene compound | 浙江工业大学 | 2021-03-05 | — | — | CN | disclosed |