Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.49 |
| ▸ | CCKBR | P32239 | 2/20 | 0.48 |
| ▸ | TACR3 | P29371 | 1/20 | 0.47 |
| ▸ | NMBR | P28336 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30060549 | 1.00 | TACR1 (0.49) | TACR1CCKBRTACR3NMBRMEN1 | |
| SCHEMBL15145375 | 0.82 | NMBR (0.48) | TACR1CCKBRTACR3NMBRMEN1 | |
| SCHEMBL14595065 | 0.80 | KDM4E (0.55) | TACR1TACR3NMBRMEN1LMNA | |
| SCHEMBL10627988 | 0.80 | TACR1 (0.48) | TACR1CCKBRTACR3 | |
| SCHEMBL10627994 | 0.80 | TACR1 (0.48) | TACR1CCKBRTACR3 | |
| SCHEMBL14212015 | 0.80 | GPR84 (0.52) | NMBRMEN1LMNACYP1A2PKM | |
| SCHEMBL8892719 | 0.80 | NMBR (0.53) | CCKBRNMBR | |
| SCHEMBL8892713 | 0.80 | NMBR (0.53) | CCKBRNMBR | |
| SCHEMBL2540033 | 0.78 | GPR84 (0.50) | MEN1LMNACYP1A2PKMTSHR | |
| SCHEMBL4212832 | 0.78 | GPR84 (0.50) | MEN1LMNACYP1A2PKMTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110759896-A | Piperazine dione acylhydrazone derivative, preparation method thereof and application of piperazine dione acylhydrazone derivative in plant virus prevention and control, sterilization and disinsection | 南开大学 | 2020-02-07 | — | — | CN | disclosed |