Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070540 | 0.91 | HDAC1 (0.49) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL25404450 | 0.82 | ESR2 (0.60) | HDAC1ESR2NR1H2CRBNDDB1 | |
| SCHEMBL31083797 | 0.82 | ESR2 (0.60) | HDAC1ESR2NR1H2CRBNDDB1 | |
| SCHEMBL31070483 | 0.80 | GPR119 (0.52) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL3873025 | 0.79 | GPR119 (0.54) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL31070535 | 0.79 | ABHD6 (0.63) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL3880472 | 0.79 | HDAC1 (0.48) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL22638739 | 0.78 | ESR2 (0.52) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL31070655 | 0.78 | HDAC1 (0.50) | HDAC1ESR2NR1H2ROCK2CRBN | |
| SCHEMBL31070651 | 0.77 | HDAC1 (0.47) | HDAC1ESR2NR1H2ROCK2CRBN |
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 |