Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 12/20 | 0.49 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL29388984 | 1.00 | PGR (0.49) | PGRATAD2PDK2PDK4MAOB | |
| SCHEMBL24690661 | 0.85 | PGR (0.53) | PGRATAD2PDK2PDK4MAOB | |
| SCHEMBL7825677 | 0.85 | PGR (0.50) | PGRATAD2PDK2PDK4PDE3B | |
| SCHEMBL24690659 | 0.79 | PGR (0.47) | PGRATAD2PDK2PDK4MAOB | |
| SCHEMBL15577414 | 0.79 | ATAD2 (0.45) | PGRATAD2PDK2PDK4PDE3B | |
| SCHEMBL3524836 | 0.78 | PGR (0.71) | PGRPDE3BPDE3ANR3C1NR3C2 | |
| SCHEMBL26666484 | 0.77 | PGR (0.47) | PGR | |
| SCHEMBL24690662 | 0.76 | AKR1B1 (0.50) | PGRATAD2PDK2PDK4MAOB | |
| SCHEMBL16858573 | 0.75 | PGR (0.46) | PGRATAD2PDK2PDK4PDE3B | |
| SCHEMBL15264189 | 0.74 | IDO1 (0.63) | AKR1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115836064-A | Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| WO-2022033455-A1 | TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-02-17 | — | — | WO | disclosed |
| WO-2022033455-A1 | TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-02-17 | — | — | WO | disclosed |