Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 4/20 | 0.36 |
| ▸ | FPR2 | P25090 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL29869025 | 0.86 | MTNR1A (0.46) | MTNR1APDE4AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL18590496 | 0.81 | MTNR1A (0.42) | MTNR1AIDO1PDE4AALDH1A1CYP1A2 | |
| SCHEMBL20177679 | 0.81 | KDM1A (0.44) | KDM1AKDM1BIDO1ALDH1A1HTR2A | |
| SCHEMBL20177704 | 0.79 | MTNR1A (0.48) | MTNR1ASCN8APDE4AALDH1A1CYP1A2 | |
| SCHEMBL19559449 | 0.77 | PDE4A (0.54) | MTNR1APDE4AALDH1A1CYP1A2PDE4B | |
| SCHEMBL19559393 | 0.77 | PDE4A (0.54) | MTNR1APDE4AALDH1A1CYP1A2PDE4B | |
| SCHEMBL19559446 | 0.76 | LMNA (0.43) | MTNR1APDE4AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL16785506 | 0.76 | LMNA (0.43) | MTNR1APDE4AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL12498577 | 0.76 | PDE4A (0.52) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B | |
| SCHEMBL12498580 | 0.76 | PDE4A (0.52) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |