Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL2749725 | 1.00 | BACE1 (0.43) | BACE1KDM4EMETAP2KMT2AMEN1 | |
| SCHEMBL2749229 | 0.93 | BACE1 (0.43) | BACE1KDM4EMETAP2KMT2AMEN1 | |
| SCHEMBL19296286 | 0.78 | CYP1A2 (0.52) | BACE1KDM4EMETAP2ESR1NOS3 | |
| SCHEMBL19877224 | 0.78 | BACE1 (0.56) | BACE1METAP2ALOX5APFEN1NOS3 | |
| SCHEMBL2748404 | 0.75 | CASP3 (0.50) | BACE1KDM4ECYP11B2IDO1TDO2 | |
| SCHEMBL27920310 | 0.74 | BACE1 (0.50) | BACE1KDM4EMETAP2KMT2AMEN1 | |
| SCHEMBL12895889 | 0.73 | BACE1 (0.52) | BACE1KDM4EMETAP2KMT2AMEN1 | |
| SCHEMBL12895896 | 0.73 | BACE1 (0.52) | BACE1KDM4EMETAP2KMT2AMEN1 | |
| SCHEMBL30873741 | 0.72 | KIF11 (0.50) | BACE1KDM4EKMT2AMEN1PTPN1 | |
| SCHEMBL7588186 | 0.72 | BACE1 (0.56) | BACE1KDM4EMETAP2KMT2AMEN1 |
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-112094229-B | Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol | 苏州康润医药有限公司 | 2022-11-22 | — | — | CN | disclosed |