Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 5/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL25145644 | 0.86 | MAPK1 (0.55) | NOS3NOS2HCRTR1HCRTR2MAPK1 | |
| SCHEMBL16544505 | 0.83 | CYP1A2 (0.38) | GLS | |
| SCHEMBL20281970 | 0.81 | MAPK1 (0.52) | NOS3NOS2MAPK1SLC6A4HTR2C | |
| SCHEMBL25857336 | 0.81 | CYP1A2 (0.35) | GLSHCRTR1HCRTR2 | |
| SCHEMBL19822067 | 0.80 | MEN1 (0.35) | GLSMAPK1 | |
| SCHEMBL17007252 | 0.78 | HCRTR1 (0.48) | GLSNOS3NOS2HCRTR1HCRTR2 | |
| SCHEMBL17007104 | 0.78 | HCRTR1 (0.51) | GLSNOS3NOS2HCRTR1HCRTR2 | |
| SCHEMBL17007237 | 0.77 | HCRTR1 (0.41) | GLSNOS3NOS2HCRTR1HCRTR2 | |
| SCHEMBL27246501 | 0.77 | SLC6A4 (0.41) | GLSNOS3NOS2HCRTR1HCRTR2 | |
| SCHEMBL17028048 | 0.75 | TRPA1 (0.44) | HCRTR1SYKTRPV3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107898-B1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2021-01-06 | — | — | EP | disclosed |
| EP-3107898-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015124932-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-08-27 | — | — | WO | disclosed |