Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPN | P05981 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 13/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL14598537 | 0.86 | HPN (0.57) | HPNMAPTALOX15SIRT5VCAM1 | |
| SCHEMBL15344011 | 0.81 | ALOX15 (0.75) | HPNMAPTALOX15SIRT5VCAM1 | |
| SCHEMBL8705714 | 0.79 | PTGS2 (0.44) | HPNMAPTALOX15SIRT5VCAM1 | |
| SCHEMBL8705708 | 0.79 | PTGS2 (0.44) | HPNMAPTALOX15SIRT5VCAM1 | |
| SCHEMBL9504441 | 0.78 | PTGS2 (0.50) | HPNMAPTALOX15SIRT5VCAM1 | |
| SCHEMBL21241542 | 0.78 | HPN (0.76) | HPNMAPTALOX15SIRT5VCAM1 | |
| SCHEMBL22360314 | 0.74 | CA1 (0.64) | ALOX15CA1CA2PTGS2PTGS1 | |
| SCHEMBL15063256 | 0.73 | PTGS2 (0.46) | MAPTALOX15CA1CA2PTGS2 | |
| SCHEMBL31357894 | 0.71 | PTGS2 (0.44) | MAPTALOX15CA1CA2PTGS2 | |
| SCHEMBL2947022 | 0.70 | PTGS2 (0.47) | MAPTALOX15CA1CA2PTGS2 |
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-2019149091-A1 | PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 北京德默高科医药技术有限公司 | 2019-08-08 | — | — | WO | disclosed |