Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
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 SCHEMBL18167432 | 0.89 | CA2 (0.48) | GRIK1GRIK2SLC1A2SLC1A1GPR84 | |
| SCHEMBL5843324 | 0.85 | BHMT (0.31) | — | |
| SCHEMBL16338274 | 0.80 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| 2-Ethylhexanoic Acid SCHEMBL1899778 | 0.76 | CA2 (0.62) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3244305 | 0.76 | GPR84 (0.49) | GRIK1GRIK2SLC1A2SLC1A1GPR84 | |
| SCHEMBL16338123 | 0.75 | CA2 (0.38) | CA2MAPK1 | |
| SCHEMBL16594095 | 0.75 | CA2 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL1894660 | 0.75 | BHMT (0.32) | — | |
| SCHEMBL17821134 | 0.74 | CA2 (0.37) | CA2MAPK1 | |
| SCHEMBL16337922 | 0.74 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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-9328306-B2 | Mixed ester | KH NEOCHEM CO., LTD. (JP) | 2016-05-03 | — | — | US | disclosed |
| US-20150001438-A1 | MIXED ESTER | KH NEOCHEM CO., LTD. (JP) | 2015-01-01 | — | — | US | disclosed |