Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6481877 | 0.82 | CYP2A6 (0.47) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL2494058 | 0.78 | CYP2A6 (0.53) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL6642084 | 0.78 | CYP2A6 (0.44) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL9754305 | 0.78 | CYP2A6 (0.44) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL11191980 | 0.78 | CYP2A6 (0.48) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL30218103 | 0.78 | CYP2A6 (0.48) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL15843597 | 0.77 | CYP2A6 (0.52) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL17194793 | 0.75 | MAPT (0.46) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL16908514 | 0.74 | HDAC3 (0.44) | CYP2A6ADRB2HDAC3HDAC4HDAC1 | |
| SCHEMBL11154388 | 0.74 | CYP2A6 (0.44) | CYP2A6ADRB2HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110016058-A | Metal complex, electroluminescent organic material, organic electroluminescence device | 北京诚志永华显示科技有限公司 | 2019-07-16 | — | — | CN | disclosed |