Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 8/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076704 | 0.91 | GAA (0.56) | CYP2D6DRD4GAAGRIN2DGRIN3B | |
| SCHEMBL28076624 | 0.86 | HTR1A (0.52) | DRD4GAAHTR1ASLC6A4ADRB2 | |
| SCHEMBL28076798 | 0.84 | HTR1A (0.55) | HTR1ASLC6A4RYR2 | |
| SCHEMBL28830809 | 0.82 | DRD4 (0.62) | CYP2D6DRD4GAAMAPT | |
| SCHEMBL28830757 | 0.82 | TSHR (0.60) | CYP2D6DRD4GAA | |
| SCHEMBL28076611 | 0.80 | MAPT (0.48) | DRD4GAAGRIN1GRIN2BHTR1A | |
| SCHEMBL28076708 | 0.80 | ADRA1A (0.49) | DRD4GAAADRA1AHTR1ASLC6A4 | |
| SCHEMBL28076585 | 0.79 | DRD4 (0.58) | DRD4GAAADRB2ADRB1ADRB3 | |
| SCHEMBL28076620 | 0.78 | HTR1A (0.46) | DRD4GAAADRA1DADRA1AADRA1B | |
| SCHEMBL3577962 | 0.76 | RYR2 (0.49) | HTR1ASLC6A4RYR2 |
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 | claimed |