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 | 8/20 | 0.59 |
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
| ▸ | DRD4 | P21917 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.52 |
| ▸ | HTR3A | P46098 | 3/20 | 0.50 |
| ▸ | HTR7 | P34969 | 3/20 | 0.50 |
| ▸ | HTR6 | P50406 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365109 | 1.00 | ADRB1 (0.69) | ADRB1DRD2DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL29176265 | 0.98 | ADRB1 (0.67) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL3095707 | 0.84 | ADRB1 (0.56) | ADRB1DRD2DRD3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL5383409 | 0.82 | ADRB1 (0.54) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL8511 | 0.81 | DRD2 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL6352699 | 0.81 | DRD2 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL1441614 | 0.81 | HTR1A (0.58) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL30839785 | 0.81 | HTR1A (0.58) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL29367982 | 0.81 | DRD2 (1.00) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL2414711 | 0.81 | ADRB1 (0.62) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |