Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.53 |
| ▸ | HTR3B | O95264 | 3/20 | 0.53 |
| ▸ | HTR3A | P46098 | 3/20 | 0.53 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.53 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.53 |
| ▸ | CETP | P11597 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 3/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7433560 | 0.83 | ADRB1 (0.49) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL5717512 | 0.83 | S1PR1 (0.56) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL27519086 | 0.82 | S1PR1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL177143 | 0.82 | S1PR1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL3716245 | 0.81 | CETP (0.57) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL3123141 | 0.81 | ADRB1 (0.50) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| Bromide SCHEMBL7337699 | 0.81 | S1PR1 (0.57) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL7927296 | 0.80 | ADRB1 (0.62) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL7510335 | 0.80 | SIGMAR1 (0.43) | SIGMAR1HTR1ADRD2DRD1DRD5 | |
| Hydrochloric Acid SCHEMBL3118726 | 0.80 | ADRB1 (0.49) | ADRB1SIGMAR1HTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023104155-A1 | LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF | 标新生物医药科技(上海)有限公司 | 2023-06-15 | — | — | WO | disclosed |