Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL214811 | 1.00 | DHFR (0.37) | DHFRRPS6KB1ROCK1HPGDKDM4E | |
| SCHEMBL29195498 | 0.86 | TEAD1 (0.42) | HPGDELANESCDRET | |
| SCHEMBL30856671 | 0.86 | TEAD1 (0.42) | HPGDELANESCDRET | |
| SCHEMBL23937822 | 0.78 | ESR1 (0.36) | HPGDKDM4ESCDPDE4APDE4B | |
| SCHEMBL28871268 | 0.76 | KDM4E (0.31) | KDM4EALDH1A1MEN1KMT2AGAA | |
| SCHEMBL20764905 | 0.75 | GAA (0.42) | KDM4EALDH1A1HSD17B10MAPK1MEN1 | |
| SCHEMBL24117847 | 0.74 | PTGDR2 (0.40) | SCDPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24117840 | 0.74 | ALDH1A1 (0.36) | KDM4ESCDPDE4APDE4BPDE4C | |
| SCHEMBL31429395 | 0.73 | CYP3A4 (0.44) | KDM4EELANESSTR4ALDH1A1HSD17B10 | |
| SCHEMBL23559557 | 0.72 | HCAR3 (0.51) | KDM4EHSD17B10CNR1GAAL3MBTL1 |
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-2024030651-A1 | GPX4 INHIBITORS AND USE THEREOF | SONATA THERAPEUTICS, INC. (US) | 2024-02-08 | — | — | WO | disclosed |