Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27951969 | 0.83 | BLM (0.41) | BLMACE2CA2MAPK1CHRM1 | |
| SCHEMBL5158569 | 0.82 | BLM (0.48) | BLMMEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL29956768 | 0.80 | CA2 (0.48) | ACE2CA2MAPK1ALDH1A1CHRM1 | |
| SCHEMBL29957306 | 0.80 | CA2 (0.48) | ACE2CA2MAPK1ALDH1A1CHRM1 | |
| SCHEMBL323960 | 0.80 | CA2 (0.48) | ACE2CA2MAPK1ALDH1A1CHRM1 | |
| SCHEMBL1964357 | 0.79 | BLM (0.44) | BLMACE2MEN1CYP3A4ALOX15 | |
| SCHEMBL27358784 | 0.79 | CA2 (0.47) | ACE2CA2MAPK1ALDH1A1CHRM1 | |
| SCHEMBL715220 | 0.79 | GPR84 (0.50) | ACE2CA2MAPK1ALDH1A1 | |
| Ethylene SCHEMBL12983468 | 0.79 | CA2 (0.47) | ACE2CA2MAPK1ALDH1A1CHRM1 | |
| SCHEMBL4452846 | 0.78 | GPR84 (0.37) | BLMACE2MEN1KMT2ASLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2872478-B1 | VINYL ESTERS OF ISONONANOIC ACID STARTING FROM 2-ETHYL HEXANOL, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF | OXEA GMBH (DE) | 2016-12-07 | — | — | EP | disclosed |