Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.50 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL151560 | 0.94 | CYP1A2 (0.57) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A | |
| Dimethylamine SCHEMBL7748841 | 0.89 | PDE10A (0.52) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A | |
| Quinoline SCHEMBL28313280 | 0.86 | ALDH1A1 (0.57) | CYP1A2TP53PDGFRBPDGFRAPDE10A | |
| SCHEMBL28532450 | 0.81 | PDGFRB (0.53) | CYP1A2PDGFRBPDGFRAKDM1AMAOA | |
| SCHEMBL6933468 | 0.81 | PDGFRB (0.53) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A | |
| SCHEMBL6115113 | 0.80 | TRPV1 (0.55) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A | |
| SCHEMBL29378603 | 0.79 | PDGFRB (0.60) | CYP1A2PDGFRBPDGFRACYP2A6 | |
| SCHEMBL3396692 | 0.79 | CYP1A2 (0.55) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A | |
| SCHEMBL28357870 | 0.79 | PDE10A (0.44) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A | |
| SCHEMBL6614214 | 0.79 | PDGFRB (0.50) | CYP1A2PDGFRBPDGFRAPDE10AKDM1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103113293-B | Polysubstituted quinoline derivative and preparation method thereof | UNIV TSINGHUA | 2015-01-21 | — | — | CN | disclosed |