Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRR | Q9GZT4 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27522582 | 1.00 | SRR (0.42) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL27522583 | 1.00 | SRR (0.42) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL7277361 | 0.83 | HTR2A (0.43) | EPHX1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7277354 | 0.83 | HTR2A (0.43) | EPHX1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL4957660 | 0.82 | EPHX1 (0.46) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL4957591 | 0.82 | EPHX1 (0.46) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL4957664 | 0.82 | EPHX1 (0.46) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL28665634 | 0.81 | SRR (0.45) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL30051855 | 0.81 | SRR (0.45) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL8580373 | 0.80 | BCHE (0.52) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113430240-A | Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis | 华东理工大学 | 2021-09-24 | — | — | CN | claimed |
| CN-113249348-A | Carbonyl reductase, gene thereof, recombinant expression transformant containing gene and application of recombinant expression transformant | 华东理工大学 | 2021-08-13 | — | — | CN | claimed |
| CN-107354179-B | Method for preparing chiral compound containing hydroxyl | 上海医药工业研究院 | 2021-02-19 | — | — | CN | claimed |
| CN-113430240-A | Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis | 华东理工大学 | 2021-09-24 | — | — | CN | disclosed |
| CN-113430240-A | Method for synthesizing atazanavir intermediate chlorohydrin by continuous flow biocatalysis | 华东理工大学 | 2021-09-24 | — | — | CN | disclosed |
| CN-113249348-A | Carbonyl reductase, gene thereof, recombinant expression transformant containing gene and application of recombinant expression transformant | 华东理工大学 | 2021-08-13 | — | — | CN | disclosed |
| CN-113249348-A | Carbonyl reductase, gene thereof, recombinant expression transformant containing gene and application of recombinant expression transformant | 华东理工大学 | 2021-08-13 | — | — | CN | disclosed |
| CN-107354179-B | Method for preparing chiral compound containing hydroxyl | 上海医药工业研究院 | 2021-02-19 | — | — | CN | disclosed |
| EP-1309714-B1 | STEREOSELECTIVE REDUCTION OF SUBSTITUTED OXO-BUTANES | BRISTOL MYERS SQUIBB CO (US) | 2009-05-13 | — | — | EP | disclosed |