Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 3/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27909339 | 0.94 | CYP3A4 (0.43) | TDP1CYP3A4ALDH1A1HPGDTSHR | |
| SCHEMBL27083008 | 0.88 | PTGS2 (0.48) | TDP1CYP3A4ALDH1A1HSD17B10LPL | |
| SCHEMBL15993628 | 0.86 | TDP1 (0.47) | TDP1CYP3A4ALDH1A1HPGDTSHR | |
| SCHEMBL27082997 | 0.81 | LPL (0.38) | TDP1CYP3A4LPLLIPGPTGS2 | |
| SCHEMBL27565650 | 0.80 | PTGS2 (0.42) | TDP1CYP3A4L3MBTL1LPLLIPG | |
| SCHEMBL28315487 | 0.79 | PTGS2 (0.54) | CYP3A4ALDH1A1HSD17B10LPLLIPG | |
| SCHEMBL28535627 | 0.77 | PPARA (0.47) | KDM4E | |
| SCHEMBL5749194 | 0.77 | SKP2 (0.41) | CYP3A4ALDH1A1HSD17B10PTGS2KDM4E | |
| SCHEMBL5748540 | 0.77 | SKP2 (0.41) | CYP3A4ALDH1A1HSD17B10PTGS2KDM4E | |
| SCHEMBL5747389 | 0.77 | SKP2 (0.41) | CYP3A4ALDH1A1HSD17B10PTGS2KDM4E |
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-109949870-B | Blending optimization method for molecular-grade base oil | 广东辛孚科技有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-109949870-A | A kind of molecular level base oil reconciliation optimization method | 杭州辛孚能源科技有限公司 | 2019-06-28 | — | — | CN | disclosed |