Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 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 | |
|---|---|---|---|---|
| Octanol SCHEMBL2214937 | 0.92 | SLC7A5 (0.58) | SLC7A5ALDH1A1DPP4DPP8DPP9 | |
| Valine SCHEMBL4045692 | 0.89 | SLC7A5 (0.71) | SLC7A5DPP4DPP8DPP9DPP7 | |
| Valine SCHEMBL30099875 | 0.89 | SLC7A5 (0.71) | SLC7A5DPP4DPP8DPP9DPP7 | |
| Valine SCHEMBL9667518 | 0.89 | SLC7A5 (0.71) | SLC7A5SLC1A2SLC1A1SLC1A3 | |
| Valine SCHEMBL1685902 | 0.89 | SLC7A5 (0.71) | SLC7A5SLC1A2SLC1A1SLC1A3GPR84 | |
| Dodecane SCHEMBL28109673 | 0.87 | SLC7A5 (0.68) | SLC7A5ALDH1A1SLC1A2SLC1A1GRIK1 | |
| Valine SCHEMBL11005807 | 0.87 | SLC7A5 (0.68) | SLC7A5ALDH1A1SLC1A2SLC1A1GRIK1 | |
| Threonine SCHEMBL10440654 | 0.86 | ALDH1A1 (0.44) | SLC7A5ALDH1A1SLC1A2SLC1A1SLC1A3 | |
| Valine SCHEMBL28555130 | 0.86 | SLC7A5 (0.60) | SLC7A5ALDH1A1DPP4DPP8DPP9 | |
| Cetostearyl Alcohol SCHEMBL28667843 | 0.84 | SLC7A5 (0.48) | SLC7A5ALDH1A1SLC1A2SLC1A1GRIK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017117212-A1 | (R)-12-HYDROXYSTEARIC ACID HYDRAZIDES AS GELATORS AND SELF-STANDING GELS THEREOF | GEORGETOWN UNIVERSITY (US) | 2017-07-06 | — | — | WO | disclosed |
| EP-0983986-A1 | Process for separating 1,3-butadiene and water from mixtures containing them and 1-n-butoxy-2-butene, 3-n-butoxy-1-butene, n-butanol and di-n-butyl ether | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-08 | — | — | EP | disclosed |