Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070510 | 0.89 | ABHD6 (0.50) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL31070640 | 0.84 | ESR2 (0.51) | ABHD6HDAC1ESR2NR1H2ABCB1 | |
| SCHEMBL31070535 | 0.81 | ABHD6 (0.63) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL31070668 | 0.81 | TMEM97 (0.52) | ABHD6HDAC1ESR2NR1H2ABCB1 | |
| SCHEMBL22638739 | 0.80 | ESR2 (0.52) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL31070483 | 0.79 | GPR119 (0.52) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL22638749 | 0.79 | ROCK2 (0.52) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL24761144 | 0.78 | ESR2 (0.56) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL6919052 | 0.77 | HDAC1 (0.43) | ABHD6HDAC1ESR2NR1H2DDB1 | |
| SCHEMBL31070615 | 0.77 | GPR119 (0.53) | ABHD6HDAC1ESR2NR1H2DDB1 |
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-118515600-A | Isoindoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-08-20 | — | — | CN | disclosed |