Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SDHB | P21912 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28504071 | 0.94 | CYP2C19 (0.53) | CYP3A4CYP2C19PDE4BPDE4DHSD17B10 | |
| SCHEMBL15661712 | 0.86 | PDE4D (0.56) | CYP3A4CYP2C19PDE4BPDE4DHSD17B10 | |
| SCHEMBL28496965 | 0.85 | HSD17B10 (0.64) | CYP2C19HSD17B10KDM4ESMN1; SMN2POLB | |
| SCHEMBL28496238 | 0.83 | NT5E (0.52) | HSD17B10KDM4ESMN1; SMN2POLBMAPK1 | |
| SCHEMBL15741324 | 0.82 | MEN1 (0.53) | KDM4ESMN1; SMN2HPGDMEN1TP53 | |
| SCHEMBL3566819 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2C19PDE4BPDE4DHSD17B10 | |
| SCHEMBL3572436 | 0.80 | PSD (0.52) | CYP3A4CYP2C19PDE4BPDE4DHSD17B10 | |
| SCHEMBL19526732 | 0.79 | MEN1 (0.50) | KDM4ESMN1; SMN2HPGDMEN1TP53 | |
| SCHEMBL28508689 | 0.78 | KDM4E (0.58) | HSD17B10KDM4ESMN1; SMN2POLBMAPK1 | |
| SCHEMBL28504033 | 0.78 | KDM4E (0.58) | HSD17B10KDM4ESMN1; SMN2POLBMAPK1 |
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 2 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 | disclosed |
| CN-112174877-A | Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative | 华侨大学 | 2021-01-05 | — | — | CN | disclosed |