Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30640013 | 0.81 | RELA (0.49) | RELAPTGS1CNR2NQO2ALDH1A1 | |
| SCHEMBL23357560 | 0.80 | ALDH1A1 (0.47) | RELAALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL23357562 | 0.80 | ALDH1A1 (0.47) | RELAALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL28926366 | 0.76 | ALDH1A1 (0.41) | RELAPTGS1ALDH1A1MAPTLMNA | |
| SCHEMBL28926465 | 0.76 | HSD17B3 (0.41) | ALDH1A1 | |
| SCHEMBL29972788 | 0.76 | NFE2L2 (0.50) | RELAPTGS1NQO2CYP3A4L3MBTL1 | |
| SCHEMBL28926351 | 0.76 | CYP1A2 (0.41) | RELALMNA | |
| SCHEMBL29973081 | 0.76 | HSD17B3 (0.41) | ALDH1A1 | |
| SCHEMBL5530039 | 0.76 | MEN1 (0.44) | RELAALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL30987470 | 0.74 | RELA (0.52) | RELAPTGS1CNR2NQO2ALDH1A1 |
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-115385876-B | Method for constructing C-C bond by photocatalysis activation of alpha-position C-H bond of tetrahydrofuran | 中国科学院理化技术研究所 | 2024-01-30 | — | — | CN | disclosed |
| CN-115385876-A | Method for constructing C-C bond by photocatalytic activation of alpha-position C-H bond of tetrahydrofuran | 中国科学院理化技术研究所 | 2022-11-25 | — | — | CN | disclosed |