Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CNR2 | P34972 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31550410 | 0.92 | HRH4 (0.52) | ALDH1A1CNR2LMNASMN1; SMN2NPSR1 | |
| SCHEMBL31550412 | 0.90 | ALDH1A1 (0.58) | ALDH1A1CNR2LMNASMN1; SMN2NPSR1 | |
| SCHEMBL31550409 | 0.89 | CNR2 (0.47) | ALDH1A1CNR2LMNASMN1; SMN2NPSR1 | |
| SCHEMBL31550411 | 0.88 | PDE8B (0.51) | ALDH1A1CNR2LMNASMN1; SMN2NPSR1 | |
| SCHEMBL31550417 | 0.87 | ALDH1A1 (0.44) | ALDH1A1CNR2LMNASMN1; SMN2NPSR1 | |
| SCHEMBL31550414 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2NPSR1MAPK1 | |
| SCHEMBL31550419 | 0.82 | LMNA (0.62) | ALDH1A1CNR2LMNAKDM4EMEN1 | |
| SCHEMBL31550408 | 0.81 | ADORA2A (0.57) | ALDH1A1LMNASMN1; SMN2NPSR1MAPK1 | |
| SCHEMBL16554660 | 0.67 | CNR2 (0.76) | ALDH1A1CNR2 | |
| SCHEMBL16554662 | 0.67 | CNR2 (0.76) | ALDH1A1CNR2 |
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-119912457-A | Pyrimidine triazole compound as well as preparation method and application thereof | 郑州大学 | 2025-05-02 | — | — | CN | disclosed |