Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ5 | P48544 | 1/20 | 0.45 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.43 |
| ▸ | CHRNG | P07510 | 2/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | CHRND | Q07001 | 2/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17492409 | 0.79 | PARP1 (0.45) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL4741238 | 0.79 | PARP1 (0.50) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL28631032 | 0.79 | PARP1 (0.50) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL633919 | 0.77 | SLC6A2 (0.51) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL11085580 | 0.77 | METAP2 (0.52) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL27475917 | 0.75 | NPC1 (0.46) | MDM2SMN1; SMN2ALDH1A1NPC1PPARG | |
| SCHEMBL21054933 | 0.75 | PPARG (0.53) | SMN1; SMN2ALDH1A1NPC1PPARGPPARA | |
| SCHEMBL634167 | 0.75 | SLC6A2 (0.49) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL3362673 | 0.74 | PARP1 (0.57) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL10898106 | 0.73 | PARP1 (0.55) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 |
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-2012100734-A1 | COMPOUNDS USEFUL AS RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS | GLAXO GROUP LIMITED (GB) | 2012-08-02 | — | — | WO | disclosed |