Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MGMT | P16455 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291238 | 0.86 | ALDH1A1 (0.43) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL28537310 | 0.84 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL28542752 | 0.84 | ALDH1A1 (0.56) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL1655496 | 0.78 | LMNA (0.50) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL2432860 | 0.72 | ALDH1A1 (0.54) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL29291232 | 0.72 | ALDH1A1 (0.47) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL3856942 | 0.71 | PDE4D (0.49) | ALDH1A1LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL2658789 | 0.70 | SGMS2 (0.47) | MAOBCYP19A1MEN1KMT2AMGMT | |
| SCHEMBL23219226 | 0.70 | NLRP3 (0.44) | ALDH1A1LMNAMAOBMAPT | |
| SCHEMBL29853048 | 0.70 | NLRP3 (0.44) | ALDH1A1LMNAMAOBMAPT |
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 |