Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30589595 | 0.92 | SLC6A7 (0.51) | MAPTALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL30589589 | 0.90 | ALDH1A1 (0.57) | MAPTALDH1A1HPGDKDM4EGAA | |
| SCHEMBL30589602 | 0.88 | KDM4E (0.52) | ALDH1A1KDM4ELMNADRD2DRD4 | |
| SCHEMBL30589604 | 0.84 | PTGS1 (0.57) | ALDH1A1KDM4EMEN1KMT2AHSD17B10 | |
| SCHEMBL30589619 | 0.83 | CCR2 (0.64) | MAPTALDH1A1HPGDKDM4EGAA | |
| SCHEMBL30589621 | 0.81 | AHR (0.58) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL30589607 | 0.81 | KDM4E (0.48) | MAPTALDH1A1HPGDKDM4EGAA | |
| SCHEMBL30589623 | 0.78 | L3MBTL1 (0.59) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL30589598 | 0.76 | PTGS2 (0.69) | ALDH1A1HPGDKDM4ELMNAUSP2 | |
| SCHEMBL30589618 | 0.75 | MEN1 (0.49) | MAPTALDH1A1HPGDKDM4EGAA |
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-117003739-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 安徽中医药大学 | 2023-11-07 | — | — | CN | disclosed |