Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 10/20 | 0.62 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11241355 | 0.90 | HCRTR1 (0.60) | HCRTR1HCRTR2LMNAKDM4EALDH1A1 | |
| SCHEMBL30585089 | 0.88 | LMNA (0.79) | LMNAKDM4EALDH1A1MAPK1HSD17B10 | |
| SCHEMBL9585990 | 0.88 | LMNA (0.79) | LMNAKDM4EALDH1A1MAPK1HSD17B10 | |
| SCHEMBL6382399 | 0.84 | HCRTR1 (0.90) | HCRTR1HCRTR2 | |
| SCHEMBL6381558 | 0.84 | HCRTR1 (0.90) | HCRTR1HCRTR2 | |
| SCHEMBL6380554 | 0.84 | HCRTR1 (0.90) | HCRTR1HCRTR2 | |
| SCHEMBL9416638 | 0.83 | MTNR1B (0.67) | HCRTR1HCRTR2LMNA | |
| SCHEMBL6376398 | 0.81 | HCRTR1 (0.72) | HCRTR1HCRTR2 | |
| SCHEMBL3051846 | 0.80 | CHRNA7 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL6788304 | 0.80 | HCRTR1 (0.88) | HCRTR1HCRTR2 |
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-116655531-A | Tetrandrine simplified substance for specifically inhibiting P-gp to reverse tumor multidrug resistance, and preparation method and application thereof | 中国人民解放军陆军军医大学 | 2023-08-29 | — | — | CN | disclosed |