Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 4/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674076 | 0.86 | CES2 (0.48) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL1978108 | 0.84 | CES2 (0.47) | CES2CES1KIF11EPHX2SRD5A2 | |
| SCHEMBL27552505 | 0.82 | NPSR1 (0.36) | KMT2A | |
| SCHEMBL3597003 | 0.82 | SMN1; SMN2 (0.46) | CES2CES1KIF11EPHX2SRD5A2 | |
| SCHEMBL21399416 | 0.82 | CES2 (0.48) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL27485584 | 0.80 | CES2 (0.42) | CES2CES1KIF11KMT2A | |
| SCHEMBL28171657 | 0.80 | ESR1 (0.41) | KIF11KMT2A | |
| SCHEMBL30545011 | 0.79 | CES2 (0.42) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL525760 | 0.78 | CES2 (0.45) | CES2CES1KIF11EPHX2HTR3E | |
| SCHEMBL28809584 | 0.78 | CES2 (0.45) | CES2CES1KIF11EPHX2HTR3E |
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-110194749-B | Method for synthesizing 3-trifluoro (difluoro) methyl-1, 2, 4-triazole-5-ketone compound | 福州大学 | 2022-04-26 | — | — | CN | disclosed |