Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | OGG1 | O15527 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28278597 | 0.79 | CES2 (0.38) | CES2CES1CA1CA2ESR1 | |
| SCHEMBL26817863 | 0.79 | ALDH1A1 (0.38) | CES2CES1GSK3BESR2LMNA | |
| SCHEMBL28309582 | 0.79 | CES2 (0.38) | CES2CES1GSK3BCA1CA2 | |
| SCHEMBL25387866 | 0.78 | PTGS2 (0.35) | CES2CES1MAOAMAOBLMNA | |
| SCHEMBL28510347 | 0.76 | SMN1; SMN2 (0.39) | GSK3BLMNAHDAC1HDAC2 | |
| SCHEMBL28459756 | 0.75 | CES2 (0.48) | CES2CES1GSK3BCA1CA2 | |
| SCHEMBL28497997 | 0.75 | MAPT (0.46) | CES2CES1CA1CA2ESR1 | |
| SCHEMBL28410993 | 0.75 | ALDH1A1 (0.44) | CYP2A6 | |
| SCHEMBL28309611 | 0.75 | ALDH1A1 (0.42) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28402431 | 0.72 | CES2 (0.45) | CES2CES1GSK3BLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112174877-B | Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative | 华侨大学 | 2022-07-29 | — | — | CN | claimed |
| CN-112174877-A | Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative | 华侨大学 | 2021-01-05 | — | — | CN | claimed |
| CN-112174877-B | Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative | 华侨大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-114044786-A | N1-bora 1,2, 3-triazole compound and preparation method thereof | 遵义医科大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-112174877-A | Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative | 华侨大学 | 2021-01-05 | — | — | CN | disclosed |