Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 8/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21331818 | 0.87 | SLC22A12 (0.46) | PPARASLC22A12FFAR1PPARG | |
| SCHEMBL21350534 | 0.85 | SLC22A12 (0.56) | SLC22A12FBP1 | |
| SCHEMBL21350904 | 0.85 | SLC22A12 (0.40) | PPARASLC22A12ABCB11CYP1A2CYP3A4 | |
| SCHEMBL21350303 | 0.81 | CASP3 (0.42) | TSHRSMN1; SMN2MAPK1FFAR1 | |
| SCHEMBL21350533 | 0.81 | LATS1 (0.43) | SLC22A12SMN1; SMN2MAPK1NAMPTFFAR1 | |
| SCHEMBL21350293 | 0.81 | SLC22A12 (0.56) | SLC22A12 | |
| SCHEMBL21350306 | 0.80 | KDM4E (0.37) | SLC22A12TSHRGRM2SMN1; SMN2NAMPT | |
| SCHEMBL21333896 | 0.78 | SLC22A12 (0.46) | PPARASLC22A12PPARG | |
| SCHEMBL21350909 | 0.76 | CYP4F2 (0.50) | SLC22A12CYP1A2CYP3A4SMN1; SMN2NAMPT | |
| SCHEMBL21350302 | 0.75 | TBXAS1 (0.41) | SLC22A12FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |