Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 4/20 | 0.65 |
| ▸ | DRD2 | P14416 | 5/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 2/20 | 0.63 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | HTR7 | P34969 | 1/20 | 0.62 |
| ▸ | DRD4 | P21917 | 1/20 | 0.62 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL1491175 | 0.95 | HTR1A (0.71) | ALDH1A1POLBHTR1ADRD2HTR2A | |
| SCHEMBL11030623 | 0.90 | HTR1A (0.73) | ALDH1A1HTR1ADRD2HTR2AKDM4E | |
| SCHEMBL3160665 | 0.87 | HTR1A (0.79) | ALDH1A1HTR1ADRD2HTR2AKDM4E | |
| Benzene SCHEMBL10433203 | 0.87 | HTR1A (0.79) | ALDH1A1HTR1ADRD2HTR2AKDM4E | |
| SCHEMBL6238933 | 0.85 | DRD2 (0.72) | HTR1ADRD2DRD3ADRA1AHTR7 | |
| SCHEMBL21673062 | 0.85 | ADRA1D (0.65) | ALDH1A1HTR1ADRD2HTR2AKDM4E | |
| SCHEMBL3188003 | 0.85 | ALDH1A1 (0.71) | ALDH1A1POLBHTR1ADRD2HTR2A | |
| SCHEMBL15743486 | 0.84 | HTR1A (0.67) | ALDH1A1POLBHTR1ADRD2HTR2A | |
| Hydrochloric Acid SCHEMBL3196115 | 0.84 | HTR1A (0.71) | ALDH1A1POLBHTR1ADRD2HTR2A | |
| Valeric Acid SCHEMBL11081888 | 0.82 | DRD2 (0.64) | ALDH1A1HTR1ADRD2HTR2AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005018643-A1 | METABOLITES OF 1-{3-4`4-(2-METHOXYPHENYL) PIPERAZIN-1-YL!-PROPYL}-PIPERIDINE-2, 6-DIONE FOR USE IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA | RANBAXY LABORATORIES LIMITED (IN) | 2005-03-03 | — | — | WO | disclosed |