Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | DRD3 | P35462 | 6/20 | 0.39 |
| ▸ | DRD4 | P21917 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7890947 | 0.83 | DRD3 (0.56) | DRD2DRD3DRD4ALDH1A1 | |
| SCHEMBL7899265 | 0.76 | SMN1; SMN2 (0.57) | MAPTALDH1A1L3MBTL1EGFRRAF1 | |
| SCHEMBL7891074 | 0.74 | POLB (0.38) | DRD2DRD3DRD4MAPTALDH1A1 | |
| SCHEMBL21211641 | 0.65 | CXCR4 (0.51) | DRD2DRD4MAPTCXCR4ALDH1A1 | |
| SCHEMBL10310511 | 0.63 | CXCR4 (0.65) | CXCR4ALDH1A1 | |
| SCHEMBL31648957 | 0.62 | CXCR4 (0.50) | DRD2DRD3DRD4MAPTNPSR1 | |
| SCHEMBL21906528 | 0.61 | CXCR4 (0.61) | CXCR4 | |
| SCHEMBL23677131 | 0.61 | CXCR4 (0.65) | DRD2DRD3CXCR4 | |
| SCHEMBL24642772 | 0.60 | GSR (0.48) | CXCR4ALDH1A1 | |
| SCHEMBL7063615 | 0.59 | DPP7 (0.52) | MAPTNPSR1ALDH1A1L3MBTL1EGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-6191273-B1 | 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS | ISIS PHARMACEUTICALS, INC. | 2001-02-20 | — | — | US | disclosed |