Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.67 |
| ▸ | HTR1A | P08908 | 7/20 | 0.63 |
| ▸ | DRD2 | P14416 | 4/20 | 0.63 |
| ▸ | DRD3 | P35462 | 2/20 | 0.63 |
| ▸ | HTR2A | P28223 | 2/20 | 0.63 |
| ▸ | HRH1 | P35367 | 1/20 | 0.63 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | HTR7 | P34969 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413202 | 0.89 | KCNH2 (0.69) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL5988317 | 0.88 | KCNH2 (0.88) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL4528457 | 0.86 | KCNH2 (1.00) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL9041083 | 0.84 | KCNH2 (0.80) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL2090629 | 0.81 | KCNH2 (0.76) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL155128 | 0.81 | SIGMAR1 (0.79) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL6637417 | 0.81 | KCNH2 (0.76) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL7382406 | 0.81 | KCNH2 (0.76) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL7382404 | 0.81 | KCNH2 (0.76) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 | |
| SCHEMBL5187793 | 0.81 | CYP2D6 (1.00) | KCNH2CYP2D6SIGMAR1HTR1ADRD2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8208614-A | — | — | None | — | — | JP | disclosed |
| EP-0984777-B1 | ARYLSUBSTITUTED PIPERAZINES USEFUL IN THE TREATEMENT OF BENIGN PROSTATIC HYPERLASIA | ORTHO MCNEIL PHARM INC (US) | 2003-09-17 | — | — | EP | disclosed |
| US-5688795-A | URINARY TRACTS OBSTRUCTION | SYNTEX (U.S.A.) INC. (US) | 1997-11-18 | — | — | US | disclosed |
| 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 |
| JP-H08208614-A | (3-(4-PHENYLPIPERAZIN-1-YL)PROPYLAMINO, THIO AND OXY)-PYRIDINE, PYRIMIDINE OR BENZENE DERIVATIVE AS ALPHA 1-ADRENOCEPTOR ANTAGONIST | F HOFFMANN LA ROCHE AG | 1996-08-13 | — | — | JP | disclosed |
| US-5534436-A | Enzymatic resolution of asymmetric alcohols by means of vinyl esters of polybasic carboxylic acids | CHEMIE LINZ GMBH (AT) | 1996-07-09 | — | — | 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 |