Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29554639 | 1.00 | NOS3 (0.40) | NOS3NOS2CES2TYMSHSD17B10 | |
| SCHEMBL30139746 | 0.87 | HSD17B10 (0.43) | NOS3NOS2CES2HSD17B10CASP1 | |
| SCHEMBL30014807 | 0.80 | PBRM1 (0.43) | CES2TYMSHSD17B10CASP1KDM4E | |
| SCHEMBL7993632 | 0.77 | MAOA (0.50) | NOS3NOS2TYMSHSD17B10CASP1 | |
| SCHEMBL5775841 | 0.77 | PLAU (0.47) | NOS3NOS2CES2TYMSHSD17B10 | |
| SCHEMBL30460236 | 0.76 | TYMS (0.38) | NOS3NOS2CES2TYMS | |
| SCHEMBL14001394 | 0.75 | NOS3 (0.53) | NOS3NOS2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL29825835 | 0.74 | CES2 (0.35) | NOS3NOS2CES2HSD17B10KDM4E | |
| SCHEMBL11616211 | 0.74 | NOS3 (0.43) | NOS3NOS2TYMSHSD17B10CASP1 | |
| SCHEMBL31014065 | 0.72 | HRH3 (0.43) | SMN1; SMN2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110218235-A | A kind of compound and preparation method thereof and application as fluorescence polarization probe in the screening of LXR beta ligands | 中山大学 | 2019-09-10 | — | — | CN | disclosed |
| EP-2817308-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF KINASES | AbbVie Inc. (US) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013126656-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF KINASES | ABBVIE INC. (US) | 2013-08-29 | — | — | WO | disclosed |