Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL18010706 | 0.91 | CYP2A6 (0.42) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL11554110 | 0.88 | CYP2A6 (0.44) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL548410 | 0.84 | CYP2A6 (0.50) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL22505850 | 0.82 | MAPT (0.43) | KDM4EALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL5471196 | 0.80 | KDM4E (0.60) | KDM4EALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL16906001 | 0.80 | IDO1 (0.45) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL30482504 | 0.80 | KCNH2 (0.40) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL548396 | 0.80 | IDO1 (0.45) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL16558189 | 0.79 | KDM4E (0.53) | CYP2A6NOS3NOS1NOS2KDM4E | |
| SCHEMBL20917286 | 0.78 | MAPT (0.50) | KDM4EALDH1A1MAPTSMN1; SMN2LMNA |
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-2015105315-A1 | FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 삼성에스디아이 주식회사 | 2015-07-16 | — | — | WO | disclosed |