Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 6/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL29455207 | 1.00 | KDM4E (0.36) | KDM4EPKMHDAC1MAPK8PARP1 | |
| SCHEMBL29455199 | 0.87 | GPR119 (0.39) | HDAC1PARP1NAMPTGPR119 | |
| SCHEMBL29455195 | 0.82 | ENPP2 (0.54) | KDM4EROCK2ENPP2HTR2AABAT | |
| SCHEMBL28563416 | 0.82 | ENPP2 (0.54) | KDM4EROCK2ENPP2HTR2AABAT | |
| SCHEMBL29455218 | 0.82 | ENPP2 (0.54) | KDM4EROCK2ENPP2HTR2AABAT | |
| SCHEMBL29455216 | 0.82 | ENPP2 (0.54) | KDM4EROCK2ENPP2HTR2AABAT | |
| SCHEMBL28557225 | 0.82 | ENPP2 (0.54) | KDM4EROCK2ENPP2HTR2AABAT | |
| SCHEMBL29455204 | 0.80 | KDM4E (0.43) | KDM4EPKMNAMPTGPR119ENPP2 | |
| SCHEMBL29455206 | 0.78 | TACR1 (0.37) | PARP1NAMPTGPR119ROCK2 | |
| SCHEMBL29455227 | 0.74 | NAMPT (0.38) | KDM4EPKMNAMPTGPR119 |
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-112778274-B | Nitrogen-containing heterocyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-112778274-A | Nitrogen-containing heterocyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2021-05-11 | — | — | CN | disclosed |