Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | VDR | P11473 | 3/20 | 0.41 |
| ▸ | NPC1L1 | Q9UHC9 | 6/20 | 0.40 |
| ▸ | OSBP | P22059 | 1/20 | 0.40 |
| ▸ | OSBP2 | Q969R2 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CDC25A | P30304 | 2/20 | 0.37 |
| ▸ | POLA1 | P09884 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11651241 | 1.00 | NFKB1 (0.43) | NFKB1NFKB2RELAUSP2VDR | |
| SCHEMBL9250798 | 0.82 | OSBP (0.50) | NFKB1NFKB2RELAUSP2VDR | |
| SCHEMBL11651916 | 0.81 | NPC1L1 (0.51) | USP2NPC1L1OSBPOSBP2GRIN1 | |
| SCHEMBL9250491 | 0.79 | CDC25A (0.48) | USP2VDRNPC1L1LMNACDC25A | |
| SCHEMBL11651465 | 0.76 | NPC1L1 (0.51) | USP2NPC1L1OSBPOSBP2GRIN1 | |
| SCHEMBL9250800 | 0.75 | NPC1L1 (0.56) | USP2VDRNPC1L1OSBPOSBP2 | |
| SCHEMBL11645387 | 0.74 | GPR183 (0.42) | NPC1L1OSBPOSBP2CDC25A | |
| Acebrochol SCHEMBL30009744 | 0.72 | NPC1L1 (0.56) | USP2VDRNPC1L1LMNACDC25A | |
| Acebrochol SCHEMBL9250494 | 0.72 | NPC1L1 (0.56) | USP2VDRNPC1L1LMNACDC25A | |
| Acebrochol SCHEMBL1006383 | 0.72 | NPC1L1 (0.56) | USP2VDRNPC1L1LMNACDC25A |
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 |
|---|---|---|---|---|---|---|---|
| US-4069321-A | Blocked cholecalciferol and dihydrotachysterol 3 derivatives | MERCK & CO., INC. (US) | 1978-01-17 | — | — | US | disclosed |