Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28542752 | 0.88 | ALDH1A1 (0.56) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL29291232 | 0.86 | ALDH1A1 (0.47) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL28534183 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL14228268 | 0.81 | MGMT (0.48) | ALDH1A1LMNAPOLBMAPTPTPN1 | |
| SCHEMBL7427825 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL12253970 | 0.75 | PTPN1 (0.47) | SMN1; SMN2MAPTPTPN1MEN1KMT2A | |
| SCHEMBL10473218 | 0.75 | MEN1 (0.40) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL9307493 | 0.75 | PDGFRB (0.48) | ALDH1A1POLBHTTSMN1; SMN2MAPT | |
| SCHEMBL3856942 | 0.74 | PDE4D (0.49) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL2432860 | 0.73 | ALDH1A1 (0.54) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 |
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-109721586-B | 5-benzyl-3-pyridyl-1H-1, 2, 4-triazole compound and preparation method and application thereof | 中国医科大学 | 2021-03-02 | — | — | CN | disclosed |