Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.38 |
| ▸ | CCL5 | P13501 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 5/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19734729 | 0.88 | CCR5 (0.36) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL19731725 | 0.83 | HTR2A (0.37) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL19731754 | 0.83 | HTR2A (0.37) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL28195957 | 0.78 | HTR2A (0.34) | HTR2AHTR2CHTR7CYP2D6CES2 | |
| SCHEMBL18249584 | 0.74 | CES2 (0.40) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL15609148 | 0.72 | CES2 (0.41) | HTR2AHTR2CHTR7CYP2D6HTR6 | |
| SCHEMBL18249640 | 0.70 | CCL5 (0.36) | CCR5CCL5 | |
| SCHEMBL19734482 | 0.69 | CCL5 (0.31) | CCR5CCL5 | |
| SCHEMBL19731647 | 0.69 | CCL5 (0.31) | CCR5CCL5 | |
| Oxalic Acid SCHEMBL18249620 | 0.67 | CCR5 (0.39) | CCR5CCL5CYP2D6 |
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 |