Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 4/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31393810 | 0.84 | BACE1 (0.47) | HSD17B2HSD17B1NPSR1ALDH1A1BACE1 | |
| SCHEMBL25916693 | 0.78 | MAPT (0.55) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL17840347 | 0.75 | KEAP1 (0.46) | HTTALDH1A1BACE1HDAC8MEN1 | |
| SCHEMBL28565885 | 0.75 | PTPN1 (0.47) | ALDH1A1CYP3A4BACE1HDAC8MEN1 | |
| SCHEMBL8703995 | 0.74 | KDM4E (0.61) | HSD17B2HSD17B1NPSR1HTTALDH1A1 | |
| SCHEMBL30739535 | 0.74 | ALDH1A1 (0.68) | NPSR1HTTALDH1A1CYP2C19BACE1 | |
| SCHEMBL22887378 | 0.73 | HSD17B2 (0.49) | HSD17B2HSD17B1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21734440 | 0.72 | KEAP1 (0.59) | NPSR1ALDH1A1CYP2C9LMNAL3MBTL1 | |
| SCHEMBL6677639 | 0.72 | LMNA (0.60) | HSD17B2HSD17B1ALDH1A1CYP3A4MEN1 | |
| SCHEMBL6677642 | 0.72 | LMNA (0.60) | HSD17B2HSD17B1ALDH1A1CYP3A4MEN1 |
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-107790186-A | A kind of new decamethyl Zirconocenes and its preparation method and application | 山西医科大学 | 2018-03-13 | — | — | CN | disclosed |