Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7077208 | 0.98 | CXCR4 (0.60) | CXCR4HRH3HRH2HRH1SIGMAR1 | |
| SCHEMBL7529422 | 0.97 | CXCR4 (0.57) | CXCR4HRH3HRH2HRH1SIGMAR1 | |
| SCHEMBL7523904 | 0.97 | CXCR4 (0.51) | CXCR4HRH3HRH2HRH1SIGMAR1 | |
| SCHEMBL2401145 | 0.92 | CXCR4 (0.43) | CXCR4HRH3HRH2HRH1SIGMAR1 | |
| SCHEMBL3358618 | 0.91 | CXCR4 (0.42) | CXCR4HRH3HRH2HRH1SIGMAR1 | |
| SCHEMBL7530676 | 0.91 | CXCR4 (0.46) | CXCR4HRH3HRH2HRH1SIGMAR1 | |
| SCHEMBL4063582 | 0.87 | CXCR4 (0.44) | CXCR4SIGMAR1DRD2DRD3KDM4E | |
| SCHEMBL28430656 | 0.86 | CXCR4 (0.39) | CXCR4SIGMAR1 | |
| SCHEMBL329542 | 0.84 | HRH3 (0.43) | HRH3KDM4EALDH1A1 | |
| SCHEMBL28432806 | 0.83 | CXCR4 (0.33) | CXCR4DRD2DRD3KDM4ENPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372903-B1 | REACTING POLYAZACYCLOALKANE WITH COMPOUND HAVING FUNCTIONAL SILANE GROUP, CONDENSING PRODUCT WITH SILANOL SITES OF SILICA GEL TO FORM IMMOBILIZED POLYAZACYCLOALKANE | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2002-04-16 | — | — | US | claimed |
| EP-1051257-B1 | METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS | AIR LIQUIDE (FR) | 2002-04-03 | — | — | EP | claimed |
| US-6372903-B1 | REACTING POLYAZACYCLOALKANE WITH COMPOUND HAVING FUNCTIONAL SILANE GROUP, CONDENSING PRODUCT WITH SILANOL SITES OF SILICA GEL TO FORM IMMOBILIZED POLYAZACYCLOALKANE | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2002-04-16 | — | — | US | disclosed |
| EP-1051257-B1 | METHOD FOR PREPARING POLYAZACYCLOALKANES GRAFTED ON SILICA GEL AND USE OF GRAFTED COMPOUNDS | AIR LIQUIDE (FR) | 2002-04-03 | — | — | EP | disclosed |