Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 15/20 | 0.87 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.87 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.87 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.63 |
| ▸ | MMP2 | P08253 | 1/20 | 0.63 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 13/20 | 0.61 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.56 |
| ▸ | MGAM | O43451 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | XDH | P47989 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Drupanin SCHEMBL3680290 | 0.93 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| Drupanin SCHEMBL5144749 | 0.93 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| SCHEMBL4216620 | 0.80 | PTPN1 (0.74) | AKR1C3AKR1B10AKR1B1PTPN1PTGS1 | |
| SCHEMBL30384586 | 0.80 | PTPN1 (0.74) | AKR1C3AKR1B10AKR1B1PTPN1PTGS1 | |
| Plicatin B SCHEMBL1227605 | 0.79 | AKR1C3 (0.73) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| Artepillin SCHEMBL1229229 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| Artepillin SCHEMBL2138507 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| Artepillin SCHEMBL7128580 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| Licoagrochalcone A SCHEMBL632907 | 0.78 | PTPN1 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 | |
| Licoagrochalcone A SCHEMBL632908 | 0.78 | PTPN1 (1.00) | AKR1C3AKR1B10AKR1B1PTPN1MMP2 |
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-2018148721-A1 | HIGHLY SELECTIVE AKR1C3 INHIBITORS AND METHODS OF USE THEREOF | TEXAS TECH UNIVERSITY SYSTEM (US) | 2018-08-16 | — | — | WO | disclosed |