Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 6/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20282240 | 0.82 | PDE2A (0.41) | SLC6A4HTR2ADAOHTR2BPDE2A | |
| SCHEMBL23841644 | 0.80 | DAO (0.44) | SLC6A4HTR2ADAOHTR2BPDE2A | |
| SCHEMBL25375435 | 0.76 | SLC6A4 (0.55) | SLC6A4HTR2AKCNH2DAOPDE2A | |
| SCHEMBL9856873 | 0.74 | SLC6A4 (0.50) | SLC6A4HTR2AKCNH2HTR2BHTR2C | |
| SCHEMBL19144535 | 0.73 | PDE2A (0.41) | SLC6A4HTR2AKCNH2HTR2BPDE2A | |
| SCHEMBL18294991 | 0.72 | DAO (0.46) | SLC6A4HTR2AKCNH2DAOHTR2B | |
| SCHEMBL2654304 | 0.72 | RXRA (0.47) | MC4RMAPTRXRARXRBRXRG | |
| SCHEMBL20651209 | 0.70 | TAAR1 (0.43) | SLC6A4KCNH2CYP2D6SLC6A2 | |
| SCHEMBL21945440 | 0.70 | DAO (0.47) | SLC6A4HTR2AKCNH2DAOPDE2A | |
| SCHEMBL12603811 | 0.70 | DAO (0.51) | DAOPDE2AMAPTRXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017060854-A1 | BIARYL PYRAZOLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-04-13 | — | — | WO | disclosed |