Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | GABRP | O00591 | 4/20 | 0.38 |
| ▸ | GABRD | O14764 | 4/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15240406 | 1.00 | KCNH2 (0.46) | KCNH2PIM1CYP2A6NOS3NOS1 | |
| SCHEMBL30482504 | 0.91 | KCNH2 (0.40) | KCNH2PIM1CYP2A6NOS3NOS1 | |
| SCHEMBL24403794 | 0.90 | PIM1 (0.45) | KCNH2PIM1NOS3NOS1NOS2 | |
| SCHEMBL548410 | 0.88 | CYP2A6 (0.50) | PIM1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL17706368 | 0.82 | PGR (0.45) | CYP2A6MAOAMAOBGABRPGABRD | |
| SCHEMBL258689 | 0.82 | PIM1 (0.55) | KCNH2PIM1CYP2A6CA12CA9 | |
| SCHEMBL15763533 | 0.81 | MAOB (0.40) | KCNH2CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL20282452 | 0.81 | PGR (0.47) | PIM1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL11554110 | 0.81 | CYP2A6 (0.44) | PIM1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL20282639 | 0.81 | PGR (0.47) | PIM1CYP2A6NOS3NOS1NOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110869366-B | Heterocyclic compound and organic light-emitting device comprising same | 株式会社LG化学 | 2023-07-04 | — | — | CN | disclosed |
| CN-106432211-B | Condensed ring compound and organic light emitting device including the same | 三星电子株式会社 | 2022-06-03 | — | — | CN | disclosed |