Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 3/20 | 0.61 |
| ▸ | CDC25B | P30305 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | NPC1L1 | Q9UHC9 | 4/20 | 0.60 |
| ▸ | USP2 | O75604 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.60 |
| ▸ | OSBP | P22059 | 2/20 | 0.55 |
| ▸ | OSBP2 | Q969R2 | 2/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.55 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.55 |
| ▸ | POLA1 | P09884 | 1/20 | 0.55 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.54 |
| ▸ | FNTA | P49354 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3415081 | 0.86 | NPC1L1 (0.62) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL3411418 | 0.86 | NPC1L1 (0.62) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL3411414 | 0.86 | NPC1L1 (0.62) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL27545306 | 0.85 | CYP2D6 (0.65) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL23645806 | 0.84 | CYP2D6 (0.71) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL16225894 | 0.84 | CYP2D6 (0.71) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL7123751 | 0.84 | CYP2D6 (0.71) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL7123746 | 0.84 | CYP2D6 (0.71) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL16227127 | 0.84 | CYP2D6 (0.71) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 | |
| SCHEMBL16227004 | 0.84 | CYP2D6 (0.71) | CDC25ACDC25BCYP2D6CYP2C19NPC1L1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749437-A1 | STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR PHARMACEUTICAL USES | MAGAININ PHARMACEUTICALS INC. (US) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024415-A1 | STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR PHARMACEUTICAL USES | MAGAININ PHARMACEUTICALS INC. (US) | 1995-09-14 | — | — | WO | disclosed |
| WO-1994019366-B1 | CHEMICAL SYNTHESIS OF SQUALAMINE | — | 1994-10-27 | — | — | WO | disclosed |
| WO-1994019366-A1 | CHEMICAL SYNTHESIS OF SQUALAMINE | MAGAININ PHARMACEUTICALS INC. (US) | 1994-09-01 | — | — | WO | disclosed |