Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.36 |
| ▸ | CCL5 | P13501 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19734693 | 0.88 | CCR5 (0.38) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL19731754 | 0.81 | HTR2A (0.37) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL19731725 | 0.81 | HTR2A (0.37) | CCR5CCL5HTR2AHTR2CHTR7 | |
| SCHEMBL28195957 | 0.79 | HTR2A (0.34) | HTR2AHTR2CHTR7CYP2D6 | |
| SCHEMBL18249640 | 0.71 | CCL5 (0.36) | CCR5CCL5DRD2DRD3 | |
| SCHEMBL15609148 | 0.69 | CES2 (0.41) | HTR2AHTR2CHTR7CYP2D6 | |
| SCHEMBL18249584 | 0.69 | CES2 (0.40) | CCR5CCL5HTR2AHTR2CHTR7 | |
| Oxalic Acid SCHEMBL18249620 | 0.68 | CCR5 (0.39) | CCR5CCL5KCNH2CYP2D6 | |
| Oxalic Acid SCHEMBL28488476 | 0.68 | CCR5 (0.39) | CCR5CCL5KCNH2CYP2D6 | |
| SCHEMBL31155397 | 0.67 | CES2 (0.36) | — |
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 |