Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL4969401 | 0.88 | HTR2C (0.43) | HTR2CNISCHTRPA1PNMTCD44 | |
| SCHEMBL19540042 | 0.78 | TSHR (0.39) | HTR2CNISCHTRPA1PNMTCD44 | |
| SCHEMBL213709 | 0.69 | PARP1 (0.42) | HTR2CTRPA1PNMTCD44MAOB | |
| SCHEMBL29696017 | 0.69 | PARP1 (0.42) | HTR2CTRPA1PNMTCD44MAOB | |
| SCHEMBL6488209 | 0.67 | PARP1 (0.41) | HTR2CTRPA1PNMTCD44MAOB | |
| SCHEMBL28067346 | 0.67 | PRCP (0.37) | HTR2C | |
| SCHEMBL28067383 | 0.67 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL7309901 | 0.63 | PARP1 (0.37) | TRPA1PNMTCD44MAOB | |
| SCHEMBL27422909 | 0.62 | TSHR (0.60) | HTR2CPNMTCD44MAOB | |
| SCHEMBL27918527 | 0.62 | TSHR (0.68) | HTR2CPNMTCD44MAOB |
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-105492436-A | Substituted phenyl-2,3-benzodiazepines | Bayer Pharma AG | 2016-04-13 | — | — | CN | disclosed |