Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177499 | 0.88 | SMN1; SMN2 (0.37) | SMN1; SMN2PKMHTTGSK3BALDH1A1 | |
| SCHEMBL20177659 | 0.81 | HTT (0.40) | SMN1; SMN2PKMHTTALDH1A1KMT2A | |
| SCHEMBL20177557 | 0.80 | CA1 (0.42) | NPC1BRD4BRD2BRD3 | |
| SCHEMBL20177846 | 0.75 | KDM1A (0.40) | SMN1; SMN2PKMHTTALDH1A1KMT2A | |
| SCHEMBL20177565 | 0.73 | FPR1 (0.43) | SMN1; SMN2PKMHTTALDH1A1KMT2A | |
| SCHEMBL20177842 | 0.72 | FPR1 (0.53) | — | |
| SCHEMBL20177637 | 0.72 | FPR1 (0.44) | SMN1; SMN2PKMHTTALDH1A1KMT2A | |
| SCHEMBL20177777 | 0.71 | FPR2 (0.44) | HTTALDH1A1KMT2AMAPTNPC1 | |
| SCHEMBL20177614 | 0.67 | CTSL (0.42) | ALDH1A1KMT2AKDM1A | |
| SCHEMBL20177925 | 0.67 | FPR2 (0.46) | SMN1; SMN2PKMHTTALDH1A1KMT2A |
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 |