Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28608905 | 0.84 | CTBP2 (0.44) | CTBP2ALDH1A1 | |
| SCHEMBL28612288 | 0.83 | PTGES (0.40) | — | |
| SCHEMBL28607997 | 0.83 | ANPEP (0.40) | TSHRMEN1KMT2AMAPT | |
| SCHEMBL28605788 | 0.82 | TSHR (0.45) | TSHRMEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL28605790 | 0.81 | CTBP2 (0.48) | CTBP2MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL28609788 | 0.78 | L3MBTL1 (0.44) | MEN1KMT2A | |
| SCHEMBL28920257 | 0.75 | HPGD (0.44) | CTBP2MEN1KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL28604758 | 0.74 | HTT (0.44) | CTBP2ALDH1A1KMT2AMAPTHPGD | |
| SCHEMBL29162904 | 0.72 | CTBP2 (0.51) | PIK3CACTBP2HTR3EHTR3BHTR3A | |
| SCHEMBL30814276 | 0.72 | CTBP2 (0.51) | PIK3CACTBP2HTR3EHTR3BHTR3A |
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-109942612-B | Diyne enamine compound and preparation method and application thereof | 北京大学深圳研究生院 | 2021-08-20 | — | — | CN | disclosed |