Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 6/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.66 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.66 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.66 |
| ▸ | HTR2B | P41595 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.66 |
| ▸ | HTR2A | P28223 | 3/20 | 0.66 |
| ▸ | HTR2C | P28335 | 3/20 | 0.66 |
| ▸ | HTR6 | P50406 | 3/20 | 0.66 |
| ▸ | HTR1B | P28222 | 3/20 | 0.66 |
| ▸ | SCN1A | P35498 | 2/20 | 0.66 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.66 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.66 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | HTR1A | P08908 | 2/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL10737803 | 0.85 | NR2E1 (0.78) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| SCHEMBL1298843 | 0.83 | NR2E1 (0.78) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| SCHEMBL19440598 | 0.81 | NR2E1 (1.00) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| SCHEMBL9798623 | 0.81 | NR2E1 (0.64) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| SCHEMBL896467 | 0.81 | NR2E1 (0.74) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| SCHEMBL11742816 | 0.80 | NR2E1 (0.78) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| Propranolol SCHEMBL3955 | 0.80 | ADRB2 (1.00) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| Levopropranolol SCHEMBL3956 | 0.80 | ADRB2 (1.00) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| Propranolol SCHEMBL1561135 | 0.80 | ADRB2 (1.00) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 | |
| Propranolol SCHEMBL10537386 | 0.80 | ADRB2 (1.00) | NR2E1CYP2D6ADRB2ADRB1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4332787-A | Assay for beta-adrenergic antagonists and antibody therefor | THE MASSACHUSETTS GENERAL HOSPITAL (US) | 1982-06-01 | — | — | US | claimed |