Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 3/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28103993 | 0.85 | TOP1 (0.57) | ESR1NPBWR1METMAPTHSD17B10 | |
| SCHEMBL28046862 | 0.80 | AURKA (0.45) | ESR1DHODHCYP1A2MAPTHSD17B10 | |
| SCHEMBL28046901 | 0.80 | PSMB5 (0.51) | ESR1CYP1A2MAPTMEN1KMT2A | |
| SCHEMBL1104820 | 0.79 | CYP1A2 (0.62) | ESR1CYP1A2MAPTHSD17B10KDM4E | |
| Iodide SCHEMBL30847747 | 0.77 | CYP1A2 (0.60) | ESR1CYP1A2MAPTHSD17B10KDM4E | |
| SCHEMBL28046810 | 0.77 | POLB (0.60) | ESR1DHODHCYP1A2MAPTKDM4E | |
| SCHEMBL18731749 | 0.76 | CYP1A2 (0.58) | ESR1CYP1A2MAPTHSD17B10KDM4E | |
| SCHEMBL28170035 | 0.76 | GRM4 (0.67) | NPBWR1METGRM4TOP1GAK | |
| SCHEMBL900362 | 0.75 | MAPT (0.51) | CYP1A2MAPTGAKKDM4E | |
| SCHEMBL899555 | 0.75 | KDM4E (0.47) | CYP1A2MEN1KMT2AGAKKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105198806-B | A kind of method using aromatic amine, diketone synthesis of quinoline derivatives | 南阳师范学院 | 2017-11-21 | — | — | CN | disclosed |
| CN-105198806-A | Method for synthesizing quinoline by aromatic amine and diketone | UNIV NANYANG NORMAL | 2015-12-30 | — | — | CN | disclosed |