Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043607 | 0.79 | HTR2C (0.36) | HTR2AMAPTMEN1AKR1B1 | |
| SCHEMBL28043614 | 0.79 | HTR2A (0.34) | HTR2APNMTMEN1AKR1B1 | |
| SCHEMBL1413826 | 0.79 | HDAC9 (0.37) | HTR2AMEN1AKR1B1 | |
| SCHEMBL28043611 | 0.78 | MLNR (0.36) | SLC6A2SLC6A3SLC6A4HTR2ALMNA | |
| Bromide SCHEMBL28138227 | 0.78 | HDAC9 (0.36) | HTR2AMEN1AKR1B1 | |
| SCHEMBL27977681 | 0.69 | HTR2A (0.38) | HTR2APNMTMEN1AKR1B1 | |
| SCHEMBL27901779 | 0.69 | HTR2A (0.38) | HTR2APNMTMEN1AKR1B1 | |
| SCHEMBL27969609 | 0.69 | HTR2A (0.38) | HTR2APNMTMEN1AKR1B1 | |
| SCHEMBL27663729 | 0.69 | HTR2A (0.38) | HTR2APNMTMEN1AKR1B1 | |
| SCHEMBL27963000 | 0.69 | HTR2A (0.38) | HTR2APNMTMEN1AKR1B1 |
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-105153029-B | Method for synthesizing isoquinoline ketone compounds | 陕西师范大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-105153029-A | Method for synthesizing isoquinoline ketone compounds | UNIV SHAANXI NORMAL | 2015-12-16 | — | — | CN | disclosed |