Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 9/20 | 0.44 |
| ▸ | HTR1D | P28221 | 8/20 | 0.44 |
| ▸ | HTR1A | P08908 | 6/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9244788 | 0.84 | PTPN11 (0.54) | PTPN11TP53CYP3A4CYP2D6MCL1 | |
| SCHEMBL9247693 | 0.84 | PTPN11 (0.54) | PTPN11TP53CYP3A4CYP2D6MCL1 | |
| SCHEMBL30620168 | 0.83 | RARB (0.52) | GPR17HTR1BHTR1DHTR1AMAPT | |
| SCHEMBL9845134 | 0.82 | PTPN11 (0.50) | PTPN11MAPTMCL1ALDH2S1PR1 | |
| SCHEMBL13648658 | 0.81 | PTPN11 (0.52) | PTPN11MCL1ALDH2S1PR1S1PR3 | |
| SCHEMBL13648644 | 0.81 | PTPN11 (0.52) | PTPN11MCL1ALDH2S1PR1S1PR3 | |
| SCHEMBL11036498 | 0.81 | NR5A1 (0.53) | HTR1BHTR1DHTR1APTPN11MAPT | |
| SCHEMBL26331612 | 0.79 | NR5A1 (0.62) | PTPN11MAPTMEN1KMT2AMCL1 | |
| SCHEMBL17447398 | 0.79 | PTPN11 (0.54) | PTPN11PDK2 | |
| SCHEMBL6657660 | 0.78 | PTPN11 (0.49) | HTR1BHTR1DHTR1APTPN11MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117165305-B | Negative liquid crystal compound and preparation method and application thereof | 陕西师范大学 | 2025-05-16 | — | — | CN | disclosed |
| CN-117165305-A | Negative liquid crystal compound and preparation method and application thereof | 陕西师范大学 | 2023-12-05 | — | — | CN | disclosed |