Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL9442813 | 1.00 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Butane SCHEMBL10901195 | 1.00 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Butane SCHEMBL5064963 | 1.00 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Butane SCHEMBL5064974 | 0.97 | FFAR3 (0.47) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Hexane SCHEMBL7024948 | 0.87 | AKR1B1 (0.52) | ALDH1A1TDP1CES2CES1AKR1B1 | |
| Pentane SCHEMBL10887899 | 0.87 | AKR1B1 (0.46) | FFAR3ALDH1A1TDP1CES2CES1 | |
| Bicarbonate SCHEMBL9843665 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Alcohol SCHEMBL28609132 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Decane SCHEMBL5983870 | 0.84 | GPR84 (0.55) | ALDH1A1TDP1CES2CES1AKR1B1 | |
| Butane SCHEMBL2067462 | 0.84 | SOAT1 (0.46) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0756589-A1 | POWDERED PRODUCTION OF HALF-ESTERS OF CYCLIC DICARBOXYLIC ACID ANHYDRIDES | Henkel Kommanditgesellschaft auf Aktien (DE) | 1997-02-05 | — | — | EP | disclosed |
| WO-1995029145-A1 | POWDERED PRODUCTION OF HALF-ESTERS OF CYCLIC DICARBOXYLIC ACID ANHYDRIDES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1995-11-02 | — | — | WO | disclosed |