Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28596296 | 0.91 | ALDH1A1 (0.47) | XDHALDH1A1LMNASIRT2VCAM1 | |
| SCHEMBL12996890 | 0.89 | ALDH1A1 (0.47) | XDHALDH1A1LMNASIRT2VCAM1 | |
| SCHEMBL26630162 | 0.80 | SIRT2 (0.48) | ALDH1A1LMNASIRT2SMN1; SMN2GAA | |
| SCHEMBL3354823 | 0.80 | LMNA (0.43) | ALDH1A1LMNAVCAM1SMN1; SMN2GAA | |
| SCHEMBL28605744 | 0.80 | XDH (0.49) | XDHALDH1A1LMNAVCAM1MAPT | |
| SCHEMBL15409864 | 0.79 | LMNA (0.47) | ALDH1A1LMNAMAPT | |
| SCHEMBL28587433 | 0.79 | XDH (0.54) | XDHALDH1A1MAPT | |
| SCHEMBL28601659 | 0.78 | XDH (0.53) | XDHALDH1A1LMNAVCAM1SMN1; SMN2 | |
| SCHEMBL28593184 | 0.77 | IMPDH2 (0.51) | ALDH1A1LMNAVCAM1SMN1; SMN2GAA | |
| SCHEMBL4106338 | 0.76 | KDM1A (0.40) | XDHALDH1A1LMNASIRT2NPSR1 |
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-113173918-B | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-113173918-A | N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |