Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.36 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PEPD | P12955 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4577535 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL26343602 | 0.85 | NPSR1 (0.48) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL4579409 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL4577528 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL5737180 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL12733389 | 0.85 | NPSR1 (0.48) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL14271686 | 0.84 | L3MBTL1 (0.46) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL12733444 | 0.83 | CYP3A4 (0.46) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL13997594 | 0.83 | CYP3A4 (0.46) | CYP3A4CYP2D6NPSR1POLBTSHR | |
| SCHEMBL21696640 | 0.82 | NPSR1 (0.59) | CYP3A4CYP2D6NPSR1POLBTSHR |
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-2022082312-A1 | NOVEL CXCR4-TARGETING COMPOUNDS | PROVINCIAL HEALTH SERVICES AUTHORITY (CA) | 2022-04-28 | — | — | WO | disclosed |