Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27702516 | 1.00 | CA2 (0.42) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL27702497 | 0.92 | CA2 (0.49) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL4445495 | 0.88 | CA2 (0.53) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL4452768 | 0.88 | CA2 (0.53) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL4564447 | 0.83 | CA2 (0.47) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL14640944 | 0.80 | CA2 (0.63) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL296220 | 0.80 | CA2 (0.63) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL15196275 | 0.79 | CA2 (0.54) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL30910034 | 0.78 | CYP3A4 (0.55) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL13886452 | 0.77 | CA2 (0.41) | CA2CA1ATMMAPK1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101103063-B | Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same | LG CHEMICAL LTD | 2011-05-25 | — | — | CN | claimed |
| CN-101103063-A | Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same | LG CHEMICAL LTD (KR) | 2008-01-09 | — | — | CN | claimed |
| CN-101103063-B | Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same | LG CHEMICAL LTD | 2011-05-25 | — | — | CN | disclosed |
| CN-101103063-A | Hydroxypivalyl hydroxypivalate ester plasticizer composition and method of preparing the same | LG CHEMICAL LTD (KR) | 2008-01-09 | — | — | CN | disclosed |