Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL238197 | 0.85 | LCK (0.66) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL6743024 | 0.83 | LCK (0.58) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL10979402 | 0.83 | LCK (0.53) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL2366676 | 0.80 | KDM4E (0.51) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL12081950 | 0.80 | LCK (0.50) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL2730020 | 0.79 | ALDH1A1 (0.49) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL3617721 | 0.79 | ALDH1A1 (0.55) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL25299997 | 0.79 | LCK (0.62) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL6742902 | 0.79 | PYGL (0.49) | LCKFYNALDH1A1KMT2AMEN1 | |
| SCHEMBL14939779 | 0.79 | LCK (0.73) | LCKFYNALDH1A1KMT2AMEN1 |
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-109071530-A | Annelated pyrimidines piperidines ring derivatives and its preparation method and application | 上海艾力斯医药科技有限公司 | 2018-12-21 | — | — | CN | disclosed |