Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219275 | 0.92 | CTSK (0.44) | CA2CA1CTSKHDAC1HDAC2 | |
| SCHEMBL7224543 | 0.89 | CA2 (0.58) | CA2CA1CTSKTDP1CYP3A4 | |
| SCHEMBL7224912 | 0.88 | CTSK (0.39) | CA2CA1CTSKADRA1ATSHR | |
| SCHEMBL7219308 | 0.86 | CA2 (0.50) | CA2CA1CTSKGRIK1SLC1A2 | |
| SCHEMBL12790573 | 0.84 | CA2 (0.48) | CA2CA1CTSKHDAC1HDAC2 | |
| SCHEMBL17878560 | 0.84 | PRKCA (0.40) | CA2CA1CTSKHDAC1HDAC2 | |
| SCHEMBL7217921 | 0.81 | CTSK (0.44) | CA1CTSKHDAC1HDAC2CHRM1 | |
| SCHEMBL7217371 | 0.80 | CA2 (0.48) | CA2CA1HDAC1HDAC2CHRM1 | |
| SCHEMBL12499090 | 0.79 | CA2 (0.44) | CA2CA1HDAC1HDAC2CHRM1 | |
| SCHEMBL7219198 | 0.79 | CA2 (0.47) | CA2CA1HDAC1HDAC2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667285-B1 | Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability | NEW JAPAN CHEMICAL CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1225213-A1 | LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR | NEW JAPAN CHEMICAL CO.,LTD. (JP) | 2002-07-24 | — | — | EP | disclosed |