Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 8/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 8/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 8/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 8/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 8/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 8/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD3B2 | P26439 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3454385 | 1.00 | HSD11B1 (0.36) | HSD11B1CYP2C9PSEN1PSEN2APH1B | |
| SCHEMBL8723263 | 0.87 | HSD11B1 (0.38) | HSD11B1CYP2C9CYP3A4HSD3B2CYP2C19 | |
| SCHEMBL9005074 | 0.87 | HSD11B1 (0.38) | HSD11B1CYP2C9CYP3A4HSD3B2CYP2C19 | |
| SCHEMBL8780969 | 0.79 | HSD11B1 (0.39) | HSD11B1CYP2C9CYP3A4 | |
| SCHEMBL8106827 | 0.72 | BACE1 (0.39) | CES2CES1 | |
| SCHEMBL7862053 | 0.72 | BACE1 (0.39) | CES2CES1 | |
| SCHEMBL6942603 | 0.72 | BACE1 (0.39) | CES2CES1 | |
| SCHEMBL18754946 | 0.72 | PDE2A (0.37) | KMT2A | |
| SCHEMBL2874273 | 0.72 | CHRNA1 (0.37) | HSD11B1CYP2C9CA9CYP3A4CYP2C19 | |
| SCHEMBL495995 | 0.72 | MMP13 (0.39) | PSEN1PSEN2APH1BNCSTNAPH1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954264-A2 | PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES | Basilea Pharmaceutica AG (CH) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062542-A2 | PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES | BASILEA PHARMACEUTICA AG (CH) | 2007-06-07 | — | — | WO | disclosed |