Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLB1 | P16278 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19878848 | 0.84 | CXCR4 (0.47) | CXCR4GLB1 | |
| SCHEMBL2916370 | 0.84 | CXCR4 (0.47) | CXCR4GLB1 | |
| SCHEMBL9484397 | 0.82 | CXCR4 (0.41) | CXCR4GLB1 | |
| Piperazine SCHEMBL10385674 | 0.82 | CXCR4 (0.41) | CXCR4GLB1 | |
| SCHEMBL6262395 | 0.82 | — | — | |
| SCHEMBL219819 | 0.80 | — | — | |
| SCHEMBL4749933 | 0.80 | — | — | |
| SCHEMBL4743019 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL30460597 | 0.78 | CXCR4 (0.38) | CXCR4GLB1 | |
| Hydrochloric Acid SCHEMBL22122712 | 0.78 | CXCR4 (0.38) | CXCR4GLB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5531978-A | CHELATE COMPOUNDS, IMAGING | NYCOMED IMAGING AS (NO) | 1996-07-02 | — | — | US | disclosed |
| US-5419893-A | Aminopolycarboxylic acids and derivatives thereof for magnetic resonance imaging | NYCOMED IMAGING AS (NO) | 1995-05-30 | — | — | US | disclosed |
| US-5198208-A | Chelate compounds for diagnosis by magnetic resonance imaging, ultrasound or radiation therapy | NYCOMED IMAGING AS (NO) | 1993-03-30 | — | — | US | disclosed |
| EP-0299795-B1 | AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF | NYCOMED AS (NO) | 1992-03-18 | — | — | EP | disclosed |
| EP-0466200-A1 | Aminocarboxylic acids and derivatives thereof | NYCOMED IMAGING AS (NO) | 1992-01-15 | — | — | EP | disclosed |
| WO-1989000557-A1 | AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF | COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) | 1989-01-26 | — | — | WO | disclosed |