Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | HTR1A | P08908 | 5/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729363 | 1.00 | BRD4 (0.36) | BRD4DRD2HTR1ADRD1DRD3 | |
| SCHEMBL9728744 | 1.00 | BRD4 (0.36) | BRD4DRD2HTR1ADRD1DRD3 | |
| SCHEMBL9728724 | 0.84 | HTR1A (0.34) | DRD2HTR1ADRD1DRD3NR1I2 | |
| SCHEMBL10409957 | 0.84 | HTR1A (0.34) | DRD2HTR1ADRD1DRD3NR1I2 | |
| SCHEMBL9728754 | 0.84 | HTR1A (0.34) | DRD2HTR1ADRD1DRD3NR1I2 | |
| SCHEMBL9729879 | 0.84 | CYP2D6 (0.42) | DRD2HTR1ADRD1DRD3ADRA2B | |
| SCHEMBL9728811 | 0.84 | CYP2D6 (0.42) | DRD2HTR1ADRD1DRD3ADRA2B | |
| SCHEMBL9728817 | 0.84 | CYP2D6 (0.42) | DRD2HTR1ADRD1DRD3ADRA2B | |
| SCHEMBL9728752 | 0.84 | HTR1A (0.34) | DRD2HTR1ADRD1DRD3NR1I2 | |
| SCHEMBL9729324 | 0.80 | DRD3 (0.33) | DRD2HTR1ADRD1DRD3NR1I2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5134143-A | Dopamine Agonists | ELI LILLY AND COMPANY (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977160-A | DOPAMINE AGONISTS; PARKINSON*S DISEASE | ELI LILLY AND COMPANY (US) | 1990-12-11 | — | — | US | disclosed |
| US-4826986-A | DOPAMINE AGONISTS | ELI LILLY AND COMPANY (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0250179-A2 | BCD tricyclic ergoline part-structure analogues | ELI LILLY AND COMPANY (US) | 1987-12-23 | — | — | EP | disclosed |