Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31468433 | 0.75 | TTR (0.55) | CYP3A4MAPTHTR3EHTR3BHTR3A | |
| SCHEMBL1138689 | 0.75 | CYP3A4 (0.46) | CYP3A4MAPTHTR3EHTR3BHTR3A | |
| SCHEMBL177454 | 0.75 | TTR (0.55) | CYP3A4MAPTHTR3EHTR3BHTR3A | |
| SCHEMBL1138468 | 0.74 | CYP3A4 (0.45) | CYP3A4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL15734830 | 0.71 | CYP3A4 (0.46) | CYP3A4SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL2407880 | 0.71 | CYP3A4 (0.46) | CYP3A4SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL5368629 | 0.71 | NPC1 (0.39) | CYP3A4MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1995699 | 0.69 | CYP3A4 (0.45) | CYP3A4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL12270711 | 0.69 | ORAI1 (0.61) | CYP3A4MAPTHTR3EHTR3BHTR3A | |
| SCHEMBL4968436 | 0.68 | CYP3A4 (0.43) | CYP3A4MAPTHTR3EHTR3BHTR3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010018836-A2 | POLYGLUTAMINE AGGREGATION INHIBITOR | 独立行政法人科学技術振興機構 (JP) | 2010-02-18 | — | — | WO | disclosed |
| WO-2010018837-A2 | PROTEIN CROSS-LINKING INHIBITOR | 独立行政法人科学技術振興機構 (JP) | 2010-02-18 | — | — | WO | disclosed |