Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 5/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | PDE8B | O95263 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15704268 | 1.00 | CXCR4 (0.41) | CXCR4OPRM1OPRL1CYP2D6NAMPT | |
| SCHEMBL15704233 | 0.84 | CXCR4 (0.44) | CXCR4OPRM1OPRL1CYP2D6NAMPT | |
| SCHEMBL15701684 | 0.84 | CXCR4 (0.43) | CXCR4OPRM1NAMPTDRD3POLB | |
| SCHEMBL14149846 | 0.82 | HTR2A (0.46) | CXCR4OPRM1OPRL1CYP2D6DRD3 | |
| SCHEMBL13452979 | 0.73 | OPRM1 (0.49) | CXCR4OPRM1OPRL1CYP2D6DRD3 | |
| SCHEMBL14135549 | 0.73 | OPRM1 (0.49) | CXCR4OPRM1OPRL1CYP2D6DRD3 | |
| SCHEMBL13155623 | 0.73 | OPRM1 (0.49) | CXCR4OPRM1OPRL1CYP2D6DRD3 | |
| SCHEMBL6651633 | 0.72 | OPRM1 (0.48) | CXCR4OPRM1OPRL1CYP2D6DRD3 | |
| SCHEMBL6651630 | 0.72 | OPRM1 (0.48) | CXCR4OPRM1OPRL1CYP2D6DRD3 | |
| SCHEMBL32676674 | 0.72 | OPRM1 (0.48) | CXCR4OPRM1OPRL1CYP2D6PDE8B |
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-2012162365-A1 | SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-29 | — | — | WO | disclosed |