Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL16696137 | 0.93 | CYP3A4 (0.49) | CYP3A4TNKSOPRL1CYP2D6PDE5A | |
| SCHEMBL16696088 | 0.92 | CYP3A4 (0.59) | CYP3A4TNKSOPRL1CYP2D6PDE5A | |
| SCHEMBL16696058 | 0.92 | CYP3A4 (0.53) | CYP3A4TNKSOPRL1CYP2D6PDE5A | |
| SCHEMBL16696115 | 0.87 | CYP3A4 (0.46) | CYP3A4TNKSOPRL1CYP2D6OPRM1 | |
| SCHEMBL9978093 | 0.87 | CYP3A4 (0.49) | CYP3A4TNKSOPRL1CYP2D6TSHR | |
| SCHEMBL9977932 | 0.87 | CYP3A4 (0.54) | CYP3A4TNKSOPRL1CYP2D6TSHR | |
| SCHEMBL16696052 | 0.86 | CYP3A4 (0.49) | CYP3A4TNKSOPRL1CYP2D6PDE5A | |
| SCHEMBL16696071 | 0.84 | CYP3A4 (0.56) | CYP3A4TNKSOPRL1CYP2D6OPRM1 | |
| SCHEMBL16696092 | 0.83 | OPRL1 (0.48) | CYP3A4OPRL1CYP2D6PDE5AALDH1A1 | |
| SCHEMBL9978054 | 0.82 | CYP3A4 (0.44) | CYP3A4TNKSOPRL1CYP2D6ALDH1A1 |
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-2015065336-A1 | RESPIRATORY SYNCYTIAL VIRUS INHIBITORS | MEDIVIR AB (SE) | 2015-05-07 | — | — | WO | disclosed |