Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DGAT2 | Q96PD7 | 6/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18436930 | 0.88 | POLB (0.39) | MAPTPOLBALDH1A1PDCD1CD274 | |
| SCHEMBL18436729 | 0.86 | CD274 (0.43) | ALDH1A1PDCD1CD274KDM4AKDM5B | |
| SCHEMBL18436545 | 0.82 | MTNR1A (0.39) | GSK3BALDH1A1PDCD1CD274KDM4A | |
| SCHEMBL21336770 | 0.82 | EGLN1 (0.40) | MAPTPOLBPDCD1CD274 | |
| SCHEMBL21336708 | 0.81 | HTR1A (0.36) | PDCD1CD274KDM4AKDM5BSLC22A12 | |
| SCHEMBL18436862 | 0.81 | EGLN1 (0.36) | PDCD1CD274KDM4AKDM5BCNR2 | |
| SCHEMBL18436919 | 0.81 | EGLN1 (0.36) | DGAT2PDCD1CD274KDM4AKDM5B | |
| SCHEMBL18436682 | 0.80 | RAD52 (0.38) | KDM4AKDM5BSLC22A12 | |
| SCHEMBL18436737 | 0.79 | KDM4E (0.46) | POLBALDH1A1HPGD | |
| SCHEMBL18436859 | 0.79 | TP53 (0.44) | MAPTNAMPTALDH1A1 |
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-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |