Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | CCR8 | P51685 | 2/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.32 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.32 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Dipyridyl SCHEMBL27745333 | 0.76 | KDM4E (0.54) | TDP1CYP2A6CCR1CCR5CCR8 | |
| Tert-Butyl Formate SCHEMBL27581508 | 0.76 | TDP1 (0.50) | TDP1CYP2A6 | |
| SCHEMBL28319348 | 0.75 | AAK1 (0.40) | MAPKAPK2HSD17B1HSD17B2MAP4K4AAK1 | |
| Tert-Butyl Formate SCHEMBL27464456 | 0.75 | TDP1 (0.54) | TDP1CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL632201 | 0.74 | — | — | |
| Tert-Butyl Formate SCHEMBL27807734 | 0.74 | TDP1 (0.48) | TDP1CYP2A6 | |
| Tert-Butyl Formate SCHEMBL28030696 | 0.74 | TDP1 (0.59) | TDP1CCR1CCR5CCR8 | |
| Methyl Alcohol SCHEMBL21630012 | 0.73 | — | — | |
| Methylamine SCHEMBL4819184 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28823448 | 0.72 | — | — |
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-103025721-B | Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same | SK CHEMICALS CO LTD | 2015-06-17 | — | — | CN | disclosed |
| CN-100509811-C | Azaindoles | AVENTIS PHARMA LTD (GB) | 2009-07-08 | — | — | CN | disclosed |
| CN-100352804-C | Amide derivatives | ASTRAZENECA AB (SE) | 2007-12-05 | — | — | CN | disclosed |
| CN-1665809-A | Azaindoles | AVENTIS PHARMA LTD (GB) | 2005-09-07 | — | — | CN | disclosed |
| CN-1344249-A | Amide derivatives | ASTRAZENECA AB (SE) | 2002-04-10 | — | — | CN | disclosed |