Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.58 |
| ▸ | TYR | P14679 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.55 |
| ▸ | QPCT | Q16769 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20473143 | 0.79 | SHBG (0.79) | SHBGPDE4DPDE4BTYRPTGS1 | |
| SCHEMBL13140660 | 0.78 | MAOB (0.65) | QPCTCA9ALOX5PTPN1ALDH1A1 | |
| SCHEMBL17114049 | 0.77 | CA12 (0.50) | QPCTCA12CA9ALOX5ALDH1A1 | |
| SCHEMBL9138143 | 0.76 | SHBG (1.00) | SHBGPDE4DPDE4BTYRPTGS1 | |
| SCHEMBL20928074 | 0.75 | KDM4E (0.46) | QPCTHDAC6ALDH1A1HPGDCYP3A4 | |
| SCHEMBL8993319 | 0.74 | MAOB (0.77) | QPCTALDH1A1HPGDCYP3A4KDM4E | |
| SCHEMBL30155120 | 0.74 | PDE4D (0.59) | SHBGPDE4DPDE4BTYRPTGS1 | |
| SCHEMBL7039171 | 0.74 | PDE4D (0.59) | SHBGPDE4DPDE4BTYRPTGS1 | |
| Moracin M SCHEMBL1740981 | 0.74 | PDE4D (1.00) | SHBGPDE4DPDE4BTYRPTGS1 | |
| Moracin M SCHEMBL29979946 | 0.74 | PDE4D (1.00) | SHBGPDE4DPDE4BTYRPTGS1 |
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-2019076343-A1 | PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海长森药业有限公司 | 2019-04-25 | — | — | WO | disclosed |