Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL257867 | 0.94 | SLC6A4 (0.39) | SLC6A4MAOAMAOBCYP3A4PPARG | |
| SCHEMBL10089190 | 0.79 | CES1 (0.32) | ALDH1A1 | |
| SCHEMBL12330495 | 0.75 | SLC6A4 (0.40) | SLC6A4MAOAMAOBCYP3A4PPARG | |
| SCHEMBL2433694 | 0.70 | APP (0.69) | SLC6A4MAOAMAOBPPARGPPARA | |
| SCHEMBL27684871 | 0.70 | EGFR (0.54) | SLC6A4MAOAMAOBCYP3A4PPARG | |
| SCHEMBL27285685 | 0.70 | LTA4H (0.49) | SLC6A4MAOAMAOBCYP3A4PPARG | |
| SCHEMBL9972571 | 0.69 | ACHE (0.34) | ALDH1A1TDP1 | |
| SCHEMBL332623 | 0.68 | MAOA (0.63) | SLC6A4MAOAMAOBCYP3A4PPARG | |
| SCHEMBL14232082 | 0.68 | ENPP2 (0.34) | — | |
| SCHEMBL10193348 | 0.68 | CA1 (0.44) | CYP3A4CYP1A2LTA4HKDM4ENPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2404607-A1 | Boronic acids and esters as inhibitors of fatty acid amide hydrolase | Infinity Pharmaceuticals, Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| EP-2399585-A1 | Boronic acids and esters as inhibitors of fatty acid amide hydrolase | Infinity Pharmaceuticals, Inc. (US) | 2011-12-28 | — | — | EP | disclosed |
| WO-2008063300-A2 | BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE | INFINITY PHARMACEUTICALS, INC. (US) | 2008-05-29 | — | — | WO | disclosed |