Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.30 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.30 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.30 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23147760 | 0.82 | KDM4E (0.36) | SLC22A12HDAC4HDAC1HDAC6KDM4E | |
| SCHEMBL29721744 | 0.82 | KDM4E (0.36) | SLC22A12HDAC4HDAC1HDAC6KDM4E | |
| SCHEMBL28809773 | 0.76 | SLC22A12 (0.33) | SLC22A12KEAP1NFE2L2PARP1KDM4E | |
| SCHEMBL21617815 | 0.72 | DAO (0.39) | SLC22A12KDM4ENOTUMENPP3ENPP1 | |
| SCHEMBL28881483 | 0.71 | PARP1 (0.44) | SLC22A12PARP1SLC22A6ABCG2 | |
| SCHEMBL20765651 | 0.70 | ENPP3 (0.39) | SLC22A12PARP1ENPP3ENPP1SLC22A6 | |
| SCHEMBL24843610 | 0.70 | — | — | |
| SCHEMBL27171964 | 0.68 | ELANE (0.40) | SLC22A12PARP1KDM4ESLC22A6ABCG2 | |
| SCHEMBL28809800 | 0.68 | — | — | |
| SCHEMBL23148094 | 0.68 | — | — |
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-114746090-A | Azaindole carboxamide compounds for the treatment of mycobacterial infections | 结核病药物开发全球联盟公司 | 2022-07-12 | — | — | CN | disclosed |