Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL225414 | 1.00 | — | — | |
| SCHEMBL3207667 | 0.86 | ALDH1A1 (0.36) | — | |
| Formamide SCHEMBL3824232 | 0.83 | — | — | |
| Isobutyraldehyde SCHEMBL9790327 | 0.83 | — | — | |
| Acetaldehyde SCHEMBL9339952 | 0.82 | LMNA (0.57) | — | |
| SCHEMBL1153 | 0.80 | — | — | |
| SCHEMBL11615697 | 0.80 | — | — | |
| SCHEMBL5306546 | 0.80 | LMNA (0.31) | — | |
| Crotonaldehyde SCHEMBL11819013 | 0.80 | TRPA1 (0.58) | — | |
| Acrolein SCHEMBL3133786 | 0.78 | TRPA1 (0.47) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800545-B2 | TARGETED MAGNETICALLY LABELED MOLECULAR MARKER SYSTEMS FOR THE NMR IMAGING | BRACCO RESEARCH SA (CH) | 2011-03-02 | — | — | EP | disclosed |
| EP-0800545-B1 | TARGETED MAGNETICALLY LABELED MOLECULAR MARKER SYSTEMS FOR THE NMR IMAGING | BRACCO RESEARCH SA (CH) | 2003-06-18 | — | — | EP | disclosed |
| EP-0800545-A1 | TARGETED MAGNETICALLY LABELED MOLECULAR MARKER SYSTEMS FOR THE NMR IMAGING | BRACCO RESEARCH S.A. (CH) | 1997-10-15 | — | — | EP | disclosed |
| WO-1997016474-A1 | TARGETED MAGNETICALLY LABELED MOLECULAR MARKER SYSTEMS FOR THE NMR IMAGING | BRACCO RESEARCH S.A. (CH) | 1997-05-09 | — | — | WO | disclosed |