Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.40 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.38 |
| ▸ | GLRB | P48167 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL12288085 | 0.87 | ALDH1A1 (0.50) | KDM5AGLRA3GLRBALDH1A1MAPT | |
| SCHEMBL20147198 | 0.75 | MAPT (0.34) | KDM5AALDH1A1MAPTKDM4ECYP1A2 | |
| SCHEMBL6316378 | 0.71 | ALDH1A1 (0.47) | KDM5AALDH1A1MAPTKDM4ECYP1A2 | |
| SCHEMBL769557 | 0.68 | SMN1; SMN2 (0.44) | GLRA3GLRBALDH1A1MAPTKDM4E | |
| SCHEMBL28100757 | 0.67 | ALDH1A1 (0.53) | GLRA3GLRBALDH1A1MAPTKDM4E | |
| SCHEMBL28620707 | 0.66 | KDM5A (0.55) | KDM5AALDH1A1MAPTKDM4ECYP1A2 | |
| SCHEMBL10256830 | 0.65 | ALDH1A1 (0.58) | GLRA3GLRBALDH1A1MAPTKDM4E | |
| SCHEMBL24114961 | 0.65 | ALOX15 (0.42) | ALDH1A1MAPTKDM4ECYP1A2ALOX15 | |
| Acetonitrile SCHEMBL28100761 | 0.65 | ALDH1A1 (0.46) | GLRA3GLRBALDH1A1MAPTKDM4E | |
| Bicarbonate SCHEMBL11614213 | 0.64 | ALDH1A1 (0.79) | GLRA3GLRBALDH1A1MAPTKDM4E |
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-2408749-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2018-05-16 | — | — | EP | disclosed |