Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYCS | P99999 | 4/20 | 0.38 |
| ▸ | TOP1 | P11387 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28680655 | 0.89 | CYCS (0.38) | CYCSTOP1PPARGPPARAHDAC6 | |
| SCHEMBL28667155 | 0.83 | CYCS (0.36) | CYCSTOP1PPARGPPARAABCG2 | |
| SCHEMBL6843058 | 0.76 | CYP1A2 (0.48) | DHODH | |
| SCHEMBL7614765 | 0.75 | FABP4 (0.53) | CYCSTOP1 | |
| SCHEMBL8909297 | 0.74 | TOP1 (0.44) | CYCSTOP1HDAC6ABCG2DHODH | |
| SCHEMBL584884 | 0.74 | TSHR (0.47) | PPARGPPARA | |
| SCHEMBL8909527 | 0.74 | TOP1 (0.45) | CYCSTOP1ABCG2DHODH | |
| SCHEMBL8908536 | 0.74 | FABP4 (0.52) | CYCSTOP1 | |
| SCHEMBL8909617 | 0.74 | FABP4 (0.52) | CYCSTOP1 | |
| SCHEMBL8908441 | 0.73 | L3MBTL1 (0.50) | — |
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-113831351-A | Novel tetrapyrrole derivatives and application thereof | 上海先辉医药科技有限公司 | 2021-12-24 | — | — | CN | claimed |
| CN-113831351-A | Novel tetrapyrrole derivatives and application thereof | 上海先辉医药科技有限公司 | 2021-12-24 | — | — | CN | disclosed |