Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | RXRA | P19793 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16647726 | 1.00 | DAO (0.49) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL9158351 | 0.86 | DAO (0.42) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL24974312 | 0.86 | DAO (0.53) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL6468241 | 0.83 | ALDH1A1 (0.46) | KDM4EL3MBTL1ACACB | |
| SCHEMBL24974314 | 0.82 | DAO (0.47) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL19121107 | 0.81 | KDM4E (0.39) | DAOHCRTR1HCRTR2KDM4EL3MBTL1 | |
| SCHEMBL4542012 | 0.81 | DAO (0.49) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL4541422 | 0.81 | DAO (0.49) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL7992234 | 0.81 | DAO (0.52) | DAOHCRTR1HCRTR2PARP1PARP2 | |
| SCHEMBL29658850 | 0.81 | DAO (0.49) | DAOHCRTR1HCRTR2PARP1PARP2 |
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-117881661-A | Condensed heterocyclic derivative | 杨森科学爱尔兰无限公司 | 2024-04-12 | — | — | CN | disclosed |