Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.48 |
| ▸ | AQP1 | P29972 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29116927 | 1.00 | PARP1 (0.48) | PARP1AQP1KDM4EALDH1A1SLC6A3 | |
| SCHEMBL29116937 | 0.88 | PARP1 (0.50) | PARP1AQP1KDM4EALDH1A1SLC6A3 | |
| SCHEMBL29116906 | 0.84 | PARP1 (0.41) | PARP1AQP1 | |
| SCHEMBL29116964 | 0.82 | PARP1 (0.42) | PARP1AQP1 | |
| SCHEMBL29116940 | 0.80 | PARP1 (0.49) | PARP1KDM4EALDH1A1SLC6A3LMNA | |
| SCHEMBL29116912 | 0.78 | GAA (0.35) | PARP1KDM4EALDH1A1SLC6A3TSHR | |
| SCHEMBL29116903 | 0.78 | SLC6A3 (0.33) | PARP1AQP1SLC6A3TSHRGAA | |
| SCHEMBL29116896 | 0.78 | PARP1 (0.47) | PARP1KDM4EALDH1A1SLC6A3LMNA | |
| SCHEMBL30786843 | 0.78 | PARP1 (0.47) | PARP1KDM4EALDH1A1SLC6A3LMNA | |
| SCHEMBL19456404 | 0.76 | PARP1 (0.34) | PARP1KDM4EALDH1A1SLC6A3HTT |
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-117229295-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-12-15 | — | — | CN | disclosed |