Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17802367 | 0.78 | CHRM2 (0.44) | IDO1TDO2GAA | |
| SCHEMBL17802365 | 0.78 | CHRM2 (0.44) | IDO1TDO2GAA | |
| SCHEMBL29280848 | 0.77 | ESR1 (0.41) | CYP3A4ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL8581474 | 0.77 | CYP3A4 (0.34) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL8579039 | 0.77 | CYP3A4 (0.34) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL8780966 | 0.77 | CYP3A4 (0.34) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL29591877 | 0.76 | PDE2A (0.54) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL5485147 | 0.76 | PDE2A (0.54) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL7299447 | 0.74 | ALDH1A1 (0.46) | KMT2AALDH1A1CYP2C9 | |
| SCHEMBL28927380 | 0.74 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732887-A1 | 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) | Wyeth (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097744-A1 | 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) | WYETH (US) | 2005-10-20 | — | — | WO | disclosed |