Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722934 | 0.85 | BRD4 (0.37) | NPC1RAB9ABRD4HTR2CALDH1A1 | |
| SCHEMBL3727131 | 0.81 | LRRK2 (0.39) | NPC1RAB9ABRD4HTR2CSCN9A | |
| SCHEMBL3722905 | 0.80 | BRD4 (0.37) | NPC1RAB9ABRD4HTR2CALDH1A1 | |
| SCHEMBL3719531 | 0.78 | LRRK2 (0.42) | NPC1RAB9ABRD4HTR2CSCN9A | |
| SCHEMBL117977 | 0.78 | BRD4 (0.36) | NPC1RAB9ABRD4HTR2CSCN9A | |
| SCHEMBL3723882 | 0.78 | LRRK2 (0.39) | BRD4ALDH1A1KDM4ESCN9ALRRK2 | |
| SCHEMBL29755406 | 0.77 | NPC1 (0.41) | NPC1RAB9ABRD4HTR2CALDH1A1 | |
| SCHEMBL18988970 | 0.77 | NPC1 (0.41) | NPC1RAB9ABRD4HTR2CALDH1A1 | |
| SCHEMBL3728805 | 0.77 | LRRK2 (0.41) | NPC1RAB9ABRD4SCN9ALRRK2 | |
| SCHEMBL3725248 | 0.76 | LRRK2 (0.36) | LRRK2BDKRB2 |
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-2010125985-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-04 | — | — | WO | disclosed |