Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | PDE9A | O76083 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4325947 | 0.87 | CES2 (0.50) | CES2NFKB1MIFPDE5APDE9A | |
| SCHEMBL4325950 | 0.87 | CES2 (0.50) | CES2NFKB1MIFPDE5APDE9A | |
| SCHEMBL29090889 | 0.85 | CES2 (0.49) | CES2NFKB1CYP1A1CYP1B1MAOB | |
| SCHEMBL29462467 | 0.83 | MIF (0.63) | MIFPDE5APDE9AALDH1A1KDM4E | |
| SCHEMBL584623 | 0.83 | MIF (0.63) | MIFPDE5APDE9AALDH1A1KDM4E | |
| SCHEMBL30632888 | 0.83 | MIF (0.63) | MIFPDE5APDE9AALDH1A1KDM4E | |
| SCHEMBL6046317 | 0.83 | MIF (0.63) | NFKB1MIFITGB3ITGAVITGA2B | |
| SCHEMBL1950609 | 0.83 | TDO2 (0.51) | NFKB1MIFITGB3ITGAVITGA2B | |
| SCHEMBL1950607 | 0.83 | TDO2 (0.51) | NFKB1MIFITGB3ITGAVITGA2B | |
| SCHEMBL6046318 | 0.83 | MIF (0.63) | NFKB1MIFITGB3ITGAVITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008035381-A2 | PROCESS FOR THE PREPARATION OF AMINE DERIVATIVES AS CALCIMIMETICS | IND-SWIFT LABORATORIES LIMITED (IN) | 2008-03-27 | — | — | WO | disclosed |