Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8129047 | 0.81 | ACHE (0.41) | ALOX5APFEN1ARHTR7PDE3B | |
| SCHEMBL7822011 | 0.77 | CYP2A6 (0.39) | CYP2C9PLA2G7HSD11B1 | |
| SCHEMBL694819 | 0.77 | PTGS2 (0.43) | PTGS2PTGS1PGR | |
| SCHEMBL3755926 | 0.76 | PTGS2 (0.58) | ALOX5APFEN1PTGS2ARPDK2 | |
| SCHEMBL17514770 | 0.75 | NISCH (0.38) | HTR7HSD11B1PDE3BPDE3A | |
| SCHEMBL436978 | 0.75 | AHR (0.40) | CYP2C9HSD11B1 | |
| SCHEMBL28445344 | 0.75 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL12364953 | 0.73 | ALOX5AP (0.49) | ALOX5APFEN1PTGS2ARPDK2 | |
| SCHEMBL29019414 | 0.71 | AKR1C3 (0.43) | PTGS2PTGS1PDE3BPDE3A | |
| SCHEMBL9009463 | 0.71 | AHR (0.47) | HSD11B1PGR |
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-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | claimed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | claimed |