Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL946834 | 0.95 | SIGMAR1 (0.59) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL3196048 | 0.94 | SIGMAR1 (0.58) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| SCHEMBL4256755 | 0.90 | KDM4E (0.63) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| SCHEMBL9154799 | 0.85 | SIGMAR1 (0.59) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| SCHEMBL11163280 | 0.85 | SIGMAR1 (0.59) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| SCHEMBL2095200 | 0.85 | SIGMAR1 (0.59) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| SCHEMBL2089529 | 0.84 | SIGMAR1 (0.58) | CYP2D6SIGMAR1KDM4EALDH1A1POLB | |
| SCHEMBL9559725 | 0.83 | KDM4E (0.68) | CYP2D6SIGMAR1KDM4EALDH1A1DRD2 | |
| SCHEMBL7972648 | 0.83 | CYP2D6 (0.63) | CYP2D6SIGMAR1KDM4ELMNA | |
| SCHEMBL3187667 | 0.83 | CACNA1G (0.63) | CYP2D6SIGMAR1KDM4EALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | 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 |
| 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 |