Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3675060 | 0.84 | HMGCR (0.56) | HMGCRMAPTTDP1HSP90AB1KDM4E | |
| SCHEMBL27982790 | 0.81 | MAPT (0.67) | HMGCRMAPTTDP1HSP90AB1KDM4E | |
| SCHEMBL1553837 | 0.81 | MAPT (0.66) | MAPTTDP1KDM4EALOX15MAPK1 | |
| SCHEMBL9645065 | 0.80 | CA9 (0.49) | HMGCRMAPTTDP1HSP90AB1KDM4E | |
| SCHEMBL1553565 | 0.79 | KDM4E (0.51) | MAPTTDP1KDM4EALOX15MAPK1 | |
| SCHEMBL27972201 | 0.79 | HMGCR (0.46) | HMGCRHSP90AB1KDM4EMAPK1ALDH1A1 | |
| SCHEMBL27770957 | 0.78 | SMN1; SMN2 (0.54) | MAPTTDP1KDM4EALDH1A1HPGD | |
| SCHEMBL17653405 | 0.78 | CTSD (0.49) | HMGCRMAPTKDM4EALOX15HSD17B10 | |
| SCHEMBL9559877 | 0.77 | CA9 (0.53) | HMGCRMAPTTDP1KDM4EMAPK1 | |
| SCHEMBL3124246 | 0.76 | HMGCR (0.47) | HMGCRMAPTTDP1HSP90AB1MAPK1 |
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-109761968-A | Paeonol with anti-tumor activity and benzoxazine compounds and its preparation method and application | 河南师范大学 | 2019-05-17 | — | — | CN | claimed |
| CN-109761968-A | Paeonol with anti-tumor activity and benzoxazine compounds and its preparation method and application | 河南师范大学 | 2019-05-17 | — | — | CN | disclosed |