Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 6/20 | 0.44 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNG | P07510 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CHRND | Q07001 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16795519 | 0.82 | KCNQ3 (0.40) | CES2CES1MAOAMAOBSLC6A3 | |
| SCHEMBL16795842 | 0.82 | MAOA (0.48) | MAOAMAOBMEN1KMT2AKCNQ3 | |
| SCHEMBL989952 | 0.81 | CES2 (0.48) | CES2CES1MAOAMAOBMEN1 | |
| SCHEMBL16795854 | 0.77 | LMNA (0.41) | MAOBRAB9A | |
| SCHEMBL16795557 | 0.77 | HTT (0.57) | MEN1KMT2AKCNQ3KCNQ2RAB9A | |
| SCHEMBL16795893 | 0.77 | CES2 (0.46) | CES2CES1 | |
| SCHEMBL16795520 | 0.75 | PDE4A (0.37) | — | |
| SCHEMBL16795738 | 0.75 | PDE4A (0.37) | MEN1KMT2AKCNQ3KCNQ2RAB9A | |
| SCHEMBL26121122 | 0.75 | MAOA (0.57) | CES2CES1MAOAMAOBRAB9A | |
| SCHEMBL16952102 | 0.74 | CES2 (0.50) | CES2CES1MAOAMAOBMEN1 |
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-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |
| WO-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |