Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | GCLC | P48506 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 2/20 | 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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL28124121 | 0.82 | CA2 (0.83) | CA2MAPK1GCLCCHRM1AKR1A1 | |
| SCHEMBL14360108 | 0.80 | CA2 (0.81) | CA2MAPK1GCLCCHRM1AKR1A1 | |
| SCHEMBL10897254 | 0.80 | CA2 (0.81) | CA2MAPK1GCLCCHRM1AKR1A1 | |
| SCHEMBL11189150 | 0.79 | CA2 (0.65) | CA2MAPK1GCLCCA1APP | |
| 2-Ethylhexanoic Acid SCHEMBL28194386 | 0.79 | CA2 (0.95) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL27901184 | 0.78 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL14359878 | 0.78 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| Ammonia Solution, Strong SCHEMBL28267146 | 0.78 | CA2 (0.77) | CA2MAPK1GCLCCHRM1AKR1A1 | |
| SCHEMBL14360381 | 0.78 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL8375903 | 0.76 | CA2 (1.00) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9493582-B2 | Alkylated cyclodextrin compositions and processes for preparing and using the same | CYDEX PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |