Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.57 |
| ▸ | HTR5A | P47898 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL28431171 | 1.00 | PDK2 (0.57) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL31911 | 0.91 | PDK2 (0.67) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL29371027 | 0.91 | PDK2 (0.67) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL28706253 | 0.88 | PDK2 (0.64) | PDK2PDK4HTR5AKMT2AMEN1 | |
| Propane SCHEMBL28225298 | 0.84 | PDK2 (0.59) | PDK2PDK4HTR5AKMT2AMEN1 | |
| Propane SCHEMBL28210963 | 0.84 | PDK2 (0.59) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL12723263 | 0.82 | PDK2 (0.57) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL25012048 | 0.80 | PDK2 (0.55) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL22481656 | 0.79 | PDK2 (0.54) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL12109350 | 0.77 | PDK2 (0.52) | PDK2PDK4HTR5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111018882-B | Spiro-based dithiane micromolecule hole transport material and preparation method and application thereof | 华南协同创新研究院 | 2021-03-16 | — | — | CN | disclosed |
| CN-111018882-A | Spiro-based dithiane micromolecule hole transport material and preparation method and application thereof | 华南协同创新研究院 | 2020-04-17 | — | — | CN | disclosed |
| CN-108997336-A | A kind of azepine imide compound and organic light-emitting display device | 上海天马有机发光显示技术有限公司 | 2018-12-14 | — | — | CN | disclosed |