Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8297825 | 0.82 | HTR1A (0.50) | CYP2D6ADRA1BHTR1ASIGMAR1KDM4E | |
| SCHEMBL9559725 | 0.81 | KDM4E (0.68) | CYP2D6ADRA1BHTR1ASIGMAR1KDM4E | |
| Hydrochloric Acid SCHEMBL9134644 | 0.81 | HTR1A (0.49) | CYP2D6ADRA1BHTR1ASIGMAR1KDM4E | |
| SCHEMBL4251060 | 0.79 | KDM4E (0.57) | ADRA1BHTR1ASIGMAR1KDM4ELMNA | |
| SCHEMBL4849891 | 0.79 | KDM4E (0.57) | ADRA1BHTR1ASIGMAR1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL4848436 | 0.79 | KDM4E (0.57) | ADRA1BHTR1ASIGMAR1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL4855540 | 0.79 | KDM4E (0.53) | ADRA1BHTR1AKDM4ELMNAADRA1D | |
| SCHEMBL4257570 | 0.79 | KDM4E (0.53) | ADRA1BHTR1ASIGMAR1KDM4ELMNA | |
| SCHEMBL8828353 | 0.78 | CYP2D6 (0.63) | CYP2D6HTR1ASIGMAR1KDM4ELMNA | |
| SCHEMBL7972648 | 0.78 | CYP2D6 (0.63) | CYP2D6SIGMAR1KDM4ELMNAHSD17B10 |
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 3 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 |
| CN-1136039-A | [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives | HOFFMANN LA ROCHE (CH) | 1996-11-20 | — | — | CN | 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 |