Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29197885 | 0.75 | ESR1 (0.37) | ESR1ESR2ADORA2ASMN1; SMN2MAPT | |
| SCHEMBL17423201 | 0.70 | KDM4E (0.57) | ADORA2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL29628893 | 0.70 | KDM4E (0.57) | ADORA2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL2492685 | 0.69 | APP (0.50) | ESR1ESR2ADORA2ASMN1; SMN2MAPT | |
| SCHEMBL30394466 | 0.69 | APP (0.50) | ESR1ESR2ADORA2ASMN1; SMN2MAPT | |
| SCHEMBL7196394 | 0.68 | APP (0.60) | SMN1; SMN2MAPTKDM4EALDH1A1LMNA | |
| SCHEMBL31313485 | 0.67 | GPR3 (0.48) | ADORA2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL20855328 | 0.67 | GPR3 (0.48) | ADORA2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL20594526 | 0.67 | KDM4E (0.53) | ADORA2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL4196157 | 0.66 | APP (0.57) | SMN1; SMN2MAPTKDM4EALDH1A1LMNA |
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-117886747-A | Fluoromethyl substituted quinoline compound, application, pharmaceutical composition and synthetic method | 河南师范大学 | 2024-04-16 | — | — | CN | disclosed |