Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3086810 | 0.88 | PARP1 (0.50) | PARP1CES2CES1ERN1CYP3A4 | |
| SCHEMBL336060 | 0.85 | KDM4E (0.52) | CES2CES1CYP3A4HSD17B10TSHR | |
| SCHEMBL392941 | 0.84 | DGAT1 (0.48) | PARP1CES2CES1CYP3A4HSD17B10 | |
| SCHEMBL27952405 | 0.84 | LMNA (0.46) | CES2CES1ERN1HSD17B10TSHR | |
| SCHEMBL4358318 | 0.83 | TDP1 (0.55) | CES2CES1CYP3A4HSD17B10POLB | |
| SCHEMBL10316500 | 0.82 | PARP1 (0.46) | PARP1CES2CES1ERN1HSD17B10 | |
| SCHEMBL2224336 | 0.82 | KDM1A (0.42) | CES2CES1CYP3A4HSD17B10POLB | |
| SCHEMBL2224340 | 0.82 | KDM1A (0.42) | CES2CES1CYP3A4HSD17B10POLB | |
| SCHEMBL6977142 | 0.82 | KDM1A (0.42) | CES2CES1CYP3A4HSD17B10POLB | |
| SCHEMBL28221470 | 0.81 | HSD17B10 (0.59) | PARP1CYP3A4HSD17B10TSHRPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8048879-B2 | Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |
| WO-2008154905-A2 | MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID | SCHEBO BIOTECH AG (DE) | 2008-12-24 | — | — | WO | disclosed |
| CN-1906155-A | Novel hydroxamic acid esters and pharmaceutical use thereof | LEO PHARMA AS (DK) | 2007-01-31 | — | — | CN | disclosed |