Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.71 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.71 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.71 |
| ▸ | HTR1A | P08908 | 5/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | HTR2C | P28335 | 4/20 | 0.71 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 4/20 | 0.71 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.71 |
| ▸ | HTR2B | P41595 | 3/20 | 0.71 |
| ▸ | HTR2A | P28223 | 3/20 | 0.71 |
| ▸ | HTR6 | P50406 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.71 |
| ▸ | DRD3 | P35462 | 3/20 | 0.71 |
| ▸ | SCN1A | P35498 | 2/20 | 0.71 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL28680554 | 1.00 | CYP2D6 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Hydrochloric Acid SCHEMBL11231352 | 0.99 | CYP2D6 (0.98) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL28676376 | 0.85 | CYP2D6 (0.74) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL28676368 | 0.85 | CYP2D6 (0.74) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Propranolol SCHEMBL6511347 | 0.83 | ADRB2 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Propranolol SCHEMBL1561135 | 0.83 | ADRB2 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Propranolol SCHEMBL3955 | 0.83 | ADRB2 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Levopropranolol SCHEMBL3956 | 0.83 | ADRB2 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Propranolol SCHEMBL10537386 | 0.83 | ADRB2 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Levopropranolol SCHEMBL29355940 | 0.83 | ADRB2 (1.00) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 |
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-113943227-B | Compound, pharmaceutical composition containing compound and application of compound | 中南大学湘雅医院 | 2023-11-07 | — | — | CN | disclosed |
| CN-113943227-A | Compound, pharmaceutical composition containing compound and application of compound | 中南大学湘雅医院 | 2022-01-18 | — | — | CN | disclosed |