Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 6/20 | 0.52 |
| ▸ | DRD3 | P35462 | 4/20 | 0.52 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8828449 | 0.90 | DRD2 (0.59) | CYP2D6KDM4ELMNADRD2DRD3 | |
| SCHEMBL27466797 | 0.85 | CYP2D6 (0.61) | CYP2D6KDM4ELMNADRD2DRD3 | |
| SCHEMBL6991590 | 0.82 | CYP2D6 (0.58) | CYP2D6KDM4ELMNADRD2DRD3 | |
| SCHEMBL8828376 | 0.80 | SIGMAR1 (0.59) | CYP2D6DRD2DRD3HTR1ADRD4 | |
| SCHEMBL13061367 | 0.80 | NCF1 (0.59) | LMNADRD2DRD3HTR1ADRD4 | |
| SCHEMBL8828565 | 0.79 | CYP2D6 (0.61) | CYP2D6DRD2DRD3HTR1AHTR2A | |
| SCHEMBL1541501 | 0.79 | NCF1 (0.63) | CYP2D6LMNADRD2DRD3HTR1A | |
| SCHEMBL9559725 | 0.77 | KDM4E (0.68) | CYP2D6KDM4ELMNADRD2DRD3 | |
| SCHEMBL8828353 | 0.77 | CYP2D6 (0.63) | CYP2D6KDM4ELMNADRD2DRD3 | |
| SCHEMBL7972648 | 0.77 | CYP2D6 (0.63) | CYP2D6KDM4ELMNASIGMAR1 |
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-5688795-A | URINARY TRACTS OBSTRUCTION | SYNTEX (U.S.A.) INC. (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0711757-A1 | 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists | F. Hoffmann-La Roche AG (CH) | 1996-05-15 | — | — | EP | disclosed |