Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.70 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.70 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12281655 | 0.83 | ADORA2A (0.92) | ADORA2ANUDT1SCN9AMEN1KMT2A | |
| SCHEMBL421987 | 0.83 | ADORA2A (1.00) | ADORA2ANUDT1SCN9AMEN1KMT2A | |
| SCHEMBL21667647 | 0.83 | ATM (0.62) | ADORA2ANUDT1MEN1KMT2AATM | |
| Hydrochloric Acid SCHEMBL27344186 | 0.81 | ADORA2A (0.96) | ADORA2ANUDT1SCN9AMEN1KMT2A | |
| SCHEMBL1755393 | 0.81 | KDM4E (0.65) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL16671089 | 0.81 | HDAC8 (0.44) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL30564904 | 0.81 | KDM4E (0.65) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL18119034 | 0.81 | ADORA2A (0.49) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL25801266 | 0.80 | ENPP3 (0.49) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL19057605 | 0.78 | HDAC8 (0.41) | ADORA2ANUDT1MEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017188597-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-11-02 | — | — | WO | disclosed |
| WO-2015047018-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |