Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL19734701 | 1.00 | HTR2A (0.36) | HTR2ACCR1SIGMAR1DRD4DRD1 | |
| SCHEMBL19734703 | 0.89 | CES2 (0.35) | HTR2ADRD4DRD1HRH2HTR1D | |
| SCHEMBL19734460 | 0.89 | CES2 (0.35) | HTR2ADRD4DRD1HRH2HTR1D | |
| SCHEMBL19734462 | 0.82 | HTR2B (0.44) | HTR2ADRD4DRD1HRH2HTR1D | |
| SCHEMBL19734461 | 0.82 | HTR2B (0.44) | HTR2ADRD4DRD1HRH2HTR1D | |
| SCHEMBL19731754 | 0.74 | HTR2A (0.37) | HTR2ASIGMAR1HTR2CHTR7HTR6 | |
| SCHEMBL19731725 | 0.74 | HTR2A (0.37) | HTR2ASIGMAR1HTR2CHTR7HTR6 | |
| SCHEMBL24357829 | 0.72 | HTR2A (0.39) | HTR2AHTR2CHTR7 | |
| SCHEMBL29599495 | 0.72 | HTR2A (0.39) | HTR2AHTR2CHTR7 | |
| SCHEMBL5485147 | 0.72 | PDE2A (0.54) | — |
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-2017216280-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-21 | — | — | WO | disclosed |