Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30983685 | 1.00 | DRD2 (0.43) | DRD2ESR2NR1H2NPC1RAB9A | |
| SCHEMBL30983671 | 0.88 | NR1H2 (0.41) | DRD2ESR2NR1H2NPC1RAB9A | |
| SCHEMBL29210657 | 0.88 | NR1H2 (0.41) | DRD2ESR2NR1H2NPC1RAB9A | |
| SCHEMBL30983668 | 0.86 | ESR2 (0.44) | DRD2ESR2NR1H2NPC1RAB9A | |
| SCHEMBL29210560 | 0.82 | DRD2 (0.46) | DRD2NPC1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL30983726 | 0.81 | ESR2 (0.43) | ESR2NR1H2NPC1RAB9AMEN1 | |
| SCHEMBL30983738 | 0.81 | ESR2 (0.43) | ESR2NR1H2NPC1RAB9AMEN1 | |
| SCHEMBL30983724 | 0.80 | ESR2 (0.43) | ESR2NR1H2NPC1RAB9AMEN1 | |
| SCHEMBL29210546 | 0.80 | ESR2 (0.43) | ESR2NR1H2NPC1RAB9AMEN1 | |
| SCHEMBL30983727 | 0.79 | NR1H2 (0.41) | ESR2NR1H2NPC1RAB9AMEN1 |
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-117986264-A | Benzo nitrogen-containing polycyclic derivative regulator and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-05-07 | — | — | CN | disclosed |