Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 12/20 | 0.62 |
| ▸ | DRD2 | P14416 | 11/20 | 0.62 |
| ▸ | DRD3 | P35462 | 9/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HTR1B | P28222 | 2/20 | 0.53 |
| ▸ | HTR1D | P28221 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL10409389 | 0.89 | BCHE (0.50) | DRD4DRD2DRD3GAAHTR1A | |
| Maleic Acid SCHEMBL10409388 | 0.89 | BCHE (0.50) | DRD4DRD2DRD3GAAHTR1A | |
| SCHEMBL2181408 | 0.84 | DRD2 (0.44) | DRD4DRD2DRD3CYP1A2LTA4H | |
| SCHEMBL1405290 | 0.82 | CYP2D6 (0.74) | DRD2DRD3CYP1A2LTA4HCYP2D6 | |
| SCHEMBL12610941 | 0.82 | CYP2D6 (0.74) | DRD2DRD3CYP1A2LTA4HCYP2D6 | |
| SCHEMBL8938905 | 0.82 | DRD4 (0.91) | DRD4DRD2DRD3GAAHTR1B | |
| Hydrochloric Acid SCHEMBL10505479 | 0.80 | CYP2D6 (0.72) | DRD2DRD3CYP1A2LTA4HCYP2D6 | |
| Bromide SCHEMBL1173547 | 0.80 | CYP2D6 (0.72) | DRD2DRD3CYP1A2LTA4HCYP2D6 | |
| SCHEMBL6676718 | 0.80 | LTA4H (0.62) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7917299 | 0.80 | DRD4 (0.74) | DRD4DRD2DRD3GAALTA4H |
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 |
|---|---|---|---|---|---|---|---|
| US-4895840-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1990-01-23 | — | — | US | disclosed |
| EP-0295010-A1 | Derivatives of alkylaminoalkyl ureas and cyanoguanidines | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-12-14 | — | — | EP | disclosed |