Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | RAD51 | Q06609 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177747 | 1.00 | KDM1A (0.36) | KDM1AKDM1BHTR3ACHRNA7RAD51 | |
| SCHEMBL20177916 | 0.84 | OPRL1 (0.37) | — | |
| SCHEMBL20177844 | 0.84 | OPRL1 (0.37) | — | |
| SCHEMBL20177482 | 0.79 | FPR2 (0.31) | — | |
| SCHEMBL20177519 | 0.79 | KDM1A (0.38) | KDM1AKDM1B | |
| SCHEMBL20177602 | 0.76 | FPR2 (0.34) | — | |
| SCHEMBL20177480 | 0.74 | FPR2 (0.31) | — | |
| SCHEMBL20177745 | 0.72 | KDM1A (0.47) | KDM1AKDM1B | |
| SCHEMBL20177930 | 0.72 | ADRA1A (0.42) | HTR3A | |
| SCHEMBL20177526 | 0.71 | FPR2 (0.46) | — |
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 |