Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.69 |
| ▸ | DRD2 | P14416 | 2/20 | 0.69 |
| ▸ | DRD3 | P35462 | 2/20 | 0.69 |
| ▸ | HTR1A | P08908 | 9/20 | 0.64 |
| ▸ | HTR2A | P28223 | 2/20 | 0.64 |
| ▸ | DRD4 | P21917 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | HTR7 | P34969 | 2/20 | 0.60 |
| ▸ | HTR3A | P46098 | 8/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8689 | 1.00 | ADRB1 (0.69) | ADRB1DRD2DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL30183272 | 0.98 | ADRB1 (0.67) | ADRB1DRD2DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL5373698 | 0.98 | ADRB1 (0.67) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL24388809 | 0.83 | DRD2 (0.50) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL29367982 | 0.81 | DRD2 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL218837 | 0.81 | ADRB1 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL18829750 | 0.81 | GAA (0.50) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL8511 | 0.81 | DRD2 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL29699369 | 0.81 | ADRB1 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL6352699 | 0.81 | DRD2 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778183-B | Nitrogen-containing ring derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-117769545-A | Tri-fused ring derivative-containing regulator, preparation method and application thereof | 上海枢境生物科技有限公司 | 2024-03-26 | — | — | CN | disclosed |