Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL18297029 | 0.98 | ZDHHC7 (0.46) | CA1ZDHHC7TP53OPRM1FAAH | |
| SCHEMBL7510756 | 0.98 | ZDHHC7 (0.46) | CA1ZDHHC7TP53OPRM1FAAH | |
| SCHEMBL7510923 | 0.98 | ZDHHC7 (0.46) | CA1ZDHHC7TP53OPRM1FAAH | |
| SCHEMBL905459 | 0.94 | CA2 (0.42) | CA1ZDHHC7TP53CPB2MAPT | |
| SCHEMBL7507908 | 0.94 | CA2 (0.42) | CA1ZDHHC7TP53CPB2MAPT | |
| Malonic Acid SCHEMBL8372739 | 0.90 | ZDHHC7 (0.44) | ZDHHC7FAAHACE2GPR84FFAR1 | |
| SCHEMBL9331429 | 0.88 | FAAH (0.53) | TP53FAAHFFAR1MAPTPPARD | |
| SCHEMBL4416129 | 0.85 | ALDH1A1 (0.40) | TP53CPB2MAPT | |
| SCHEMBL8009470 | 0.85 | ALDH1A1 (0.40) | TP53CPB2MAPT | |
| SCHEMBL905440 | 0.85 | ALDH1A1 (0.40) | TP53CPB2MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110256362-A | A kind of preparation method of high-purity 5- ethyl -5- (1- methyl butyl) barbiturates | 山东新华制药股份有限公司 | 2019-09-20 | — | — | CN | claimed |
| CN-105541731-A | Method for preparing 5-ethyl-5-(1-methylbutyl)malonylurea | SHANDONG XINHUA PHARMACEUTICAL | 2016-05-04 | — | — | CN | claimed |
| CN-110256362-A | A kind of preparation method of high-purity 5- ethyl -5- (1- methyl butyl) barbiturates | 山东新华制药股份有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-105541731-A | Method for preparing 5-ethyl-5-(1-methylbutyl)malonylurea | SHANDONG XINHUA PHARMACEUTICAL | 2016-05-04 | — | — | CN | disclosed |
| CN-105541731-A | Method for preparing 5-ethyl-5-(1-methylbutyl)malonylurea | SHANDONG XINHUA PHARMACEUTICAL | 2016-05-04 | — | — | CN | disclosed |