Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 3/20 | 0.53 |
| ▸ | HTR1D | P28221 | 2/20 | 0.53 |
| ▸ | HTR1B | P28222 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27976210 | 0.88 | TDP1 (0.65) | TDP1CYP2D6CYP2C19HTR1AHTR1D | |
| SCHEMBL13924773 | 0.80 | TDP1 (0.79) | TDP1CYP2D6CYP2C19HTR1AKCNA5 | |
| SCHEMBL27976241 | 0.78 | HRH3 (0.62) | MAOBALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL8264564 | 0.78 | TDP1 (1.00) | TDP1CYP2D6CYP2C19KCNA5KDM4E | |
| SCHEMBL1926621 | 0.77 | ALDH1A1 (0.53) | MAOBKDM4EALDH1A1POLBMEN1 | |
| SCHEMBL14970697 | 0.77 | TDP1 (0.97) | TDP1CYP2D6CYP2C19KCNA5KDM4E | |
| SCHEMBL8351940 | 0.77 | TDP1 (0.97) | TDP1CYP2D6CYP2C19KCNA5KDM4E | |
| SCHEMBL27956570 | 0.77 | LMNA (0.47) | ALDH1A1POLBNPSR1MEN1KMT2A | |
| SCHEMBL27956568 | 0.77 | LMNA (0.50) | CYP2D6CYP2C19ALDH1A1POLBNPSR1 | |
| Hydrochloric Acid SCHEMBL14966281 | 0.76 | TDP1 (0.94) | TDP1CYP2D6CYP2C19HTR1AKCNA5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102924406-B | Substituted aryl oxygen ethylpiperazine derivative, preparation method of substituted aryl oxygen ethylpiperazine derivative and application of substituted aryl oxygen ethylpiperazine derivative | UNIV NANJING MEDICAL | 2014-11-05 | — | — | CN | disclosed |