Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 11/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 3/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076884 | 0.90 | SLC6A4 (0.52) | HTR1ASLC6A4GRIN1GRIN2BGRIN2D | |
| SCHEMBL28076765 | 0.90 | HTR1A (0.52) | HTR1ASLC6A4RYR2 | |
| SCHEMBL28076769 | 0.85 | HTR1A (0.52) | HTR1ASLC6A4RYR2 | |
| SCHEMBL28076795 | 0.84 | HTR1A (0.46) | HTR1ASLC6A4GRIN2BRYR2 | |
| SCHEMBL27997728 | 0.82 | HTR4 (0.46) | GRIN1GRIN2BGRIN2DGRIN3BADRA1D | |
| SCHEMBL28076538 | 0.82 | HTR4 (0.44) | GRIN1GRIN2BGRIN2DGRIN3BADRA1D | |
| SCHEMBL28076611 | 0.81 | MAPT (0.48) | HTR1ASLC6A4GRIN1GRIN2BRYR2 | |
| SCHEMBL28076801 | 0.81 | HTR1A (0.52) | HTR1ASLC6A4GRIN2BRYR2 | |
| SCHEMBL28830809 | 0.80 | DRD4 (0.62) | DRD4 | |
| SCHEMBL28076620 | 0.78 | HTR1A (0.46) | HTR1ASLC6A4GRIN1GRIN2BADRA1D |
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-103980184-B | Piperidine compounds, medical composition and its use containing this compound | 爱思开生物制药株式会社 | 2016-08-24 | — | — | CN | disclosed |