Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.53 |
| ▸ | CNR2 | P34972 | 7/20 | 0.53 |
| ▸ | GRN | P28799 | 4/20 | 0.43 |
| ▸ | SORT1 | Q99523 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820595 | 0.90 | CNR1 (0.65) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL28820600 | 0.86 | CNR1 (0.52) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL28288069 | 0.83 | GRN (0.61) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL3995561 | 0.83 | GRN (0.46) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL28820565 | 0.82 | GRN (0.47) | CNR1CNR2GRNSORT1SMN1; SMN2 | |
| SCHEMBL573823 | 0.82 | CNR1 (0.46) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL574357 | 0.79 | GRN (0.46) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL3755872 | 0.79 | GRN (0.43) | CNR1CNR2GRNSORT1KDM4E | |
| SCHEMBL23115718 | 0.79 | SMN1; SMN2 (0.44) | KDM4ECYP4F2CYP4A11SMN1; SMN2TDP1 | |
| SCHEMBL2449044 | 0.78 | KDM4E (0.61) | CNR1CNR2GRNSORT1KDM4E |
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-109516955-B | Nitrogen-containing five-membered aromatic heterocyclic compound and preparation method and application thereof | 华东师范大学 | 2022-07-26 | — | — | CN | disclosed |