Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.52 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.49 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL26131083 | 1.00 | ESR2 (0.53) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL22981583 | 0.90 | NR1H2 (0.67) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL29388691 | 0.90 | NR1H2 (0.67) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL29974005 | 0.87 | ESR2 (0.54) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL1650190 | 0.87 | ESR2 (0.54) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL8921662 | 0.86 | NR1H2 (0.55) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL18379840 | 0.86 | ESR2 (0.53) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL30368320 | 0.86 | ESR2 (0.53) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL18883051 | 0.86 | ESR2 (0.53) | ESR2HDAC1NR1H2DDB1CRBN | |
| SCHEMBL29868910 | 0.86 | NR1H2 (0.55) | ESR2HDAC1NR1H2DDB1CRBN |
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-116615417-B | 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof | 广州必贝特医药股份有限公司 | 2024-05-14 | — | — | CN | disclosed |