Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12837385 | 0.85 | MEN1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL23315066 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL28772084 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL17765435 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL9578479 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL17765446 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL3397750 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL9578300 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL20091151 | 0.72 | L3MBTL1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL3002978 | 0.70 | ALOX15 (0.41) | CYP3A4CYP2C9ALDH1A1SMN1; SMN2SIGMAR1 |
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-119350245-A | Hexahydro ring Ding Kuilin derivative, preparation method and application thereof | 扬州大学 | 2025-01-24 | — | — | CN | disclosed |