Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL16613703 | 0.89 | KRAS (0.39) | KRASADORA1ADORA2AMCL1VCP | |
| SCHEMBL16613720 | 0.87 | NPY5R (0.40) | KRASADORA1ADORA2AMCL1VCP | |
| SCHEMBL16613458 | 0.82 | MCL1 (0.35) | KRASADORA1ADORA2AMCL1VCP | |
| SCHEMBL16613484 | 0.81 | ADORA2A (0.42) | ADORA1ADORA2AVCPKDM4E | |
| SCHEMBL16613739 | 0.81 | ADORA1 (0.55) | ADORA1ADORA2AMCL1KDM4ENPC1 | |
| SCHEMBL12014847 | 0.80 | MCL1 (0.47) | MCL1KDM4ENPC1 | |
| SCHEMBL16613485 | 0.79 | DHODH (0.41) | ADORA1ADORA2AVCPKDM4E | |
| SCHEMBL16613530 | 0.78 | VCP (0.37) | ADORA2AVCPKDM4E | |
| SCHEMBL16613531 | 0.77 | ADORA2A (0.39) | ADORA2AVCPKDM4E | |
| SCHEMBL16613533 | 0.77 | DHODH (0.40) | ADORA2AVCPKDM4E |
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-2015047058-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |