Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.32 |
| ▸ | PNMT | P11086 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | 0.82 | HTR2C (0.36) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| SCHEMBL1413826 | 0.81 | HDAC9 (0.37) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| Bromide SCHEMBL28138227 | 0.80 | HDAC9 (0.36) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| SCHEMBL28043373 | 0.79 | CYP2D6 (0.34) | HTR2AAKR1B1PNMTMEN1 | |
| SCHEMBL28043611 | 0.74 | MLNR (0.36) | HTR2A | |
| SCHEMBL27963000 | 0.74 | HTR2A (0.38) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| SCHEMBL27663729 | 0.71 | HTR2A (0.38) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| SCHEMBL27977681 | 0.71 | HTR2A (0.38) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| SCHEMBL27969609 | 0.71 | HTR2A (0.38) | HTR2AHTR2CTSHRTDP1AKR1B1 | |
| SCHEMBL27901779 | 0.71 | HTR2A (0.38) | HTR2AHTR2CTSHRTDP1AKR1B1 |
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-105153029-A | Method for synthesizing isoquinoline ketone compounds | UNIV SHAANXI NORMAL | 2015-12-16 | — | — | CN | disclosed |